2-(Hydroxymethyl)-2-isopropyl-1,3-butanediol - CAS 67590-36-7
Catalog: |
BB033337 |
Product Name: |
2-(Hydroxymethyl)-2-isopropyl-1,3-butanediol |
CAS: |
67590-36-7 |
Synonyms: |
2-(hydroxymethyl)-2-propan-2-ylbutane-1,3-diol; 2-(hydroxymethyl)-2-propan-2-ylbutane-1,3-diol |
IUPAC Name: | 2-(hydroxymethyl)-2-propan-2-ylbutane-1,3-diol |
Description: | 2-(Hydroxymethyl)-2-isopropyl-1,3-butanediol (CAS# 67590-36-7 ) is a useful research chemical. |
Molecular Weight: | 162.23 |
Molecular Formula: | C8H18O3 |
Canonical SMILES: | CC(C)C(CO)(CO)C(C)O |
InChI: | InChI=1S/C8H18O3/c1-6(2)8(4-9,5-10)7(3)11/h6-7,9-11H,4-5H2,1-3H3 |
InChI Key: | NSMPTYUWFAXBRZ-UHFFFAOYSA-N |
LogP: | -0.00580 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.125594432 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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