2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol

C10H20O3 — CID 134856428

IUPAC2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol
SMILESCC1(O)CCCC(C)(CO)C1CO
InChIInChI=1S/C10H20O3/c1-9(7-12)4-3-5-10(2,13)8(9)6-11/h8,11-13H,3-7H2,1-2H3
InChIKeyVGQTZLMLEILGLA-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.53
Rot. Bonds2

About 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol

2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol (PubChem CID 134856428) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol
PubChem CID134856428
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol
SMILESCC1(O)CCCC(C)(CO)C1CO
InChIInChI=1S/C10H20O3/c1-9(7-12)4-3-5-10(2,13)8(9)6-11/h8,11-13H,3-7H2,1-2H3
InChIKeyVGQTZLMLEILGLA-UHFFFAOYSA-N
XLogP0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

P-Menthane-3,8-diol
CID 556998
Menthoglycol
CID 19100
Cyclohexanepropanol, 2,2,6-trimethyl-alpha-propyl-
CID 116699
Tetrahydroionol
CID 107272
(1R,2S,4R)-2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
CID 9920491
Decahydro-2-hydroxy-2,5,5,8a-tetramethylnaphthalene-1-ethanol
CID 91915
alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
CID 108425
Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1S,2R,4R)-
CID 13344662
1Alpha,3beta,4beta-p-menthane-3,8-diol
CID 22214620
Sclareol glycol
CID 11107904
alpha-Ethyl-2,2,6-trimethylcyclohexanepropanol
CID 108424
Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1S,2S,4R)-
CID 13344664

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol?
The IUPAC name of 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol (CID 134856428) is 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol is CC1(O)CCCC(C)(CO)C1CO.
What is the InChIKey of 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol?
The InChIKey is VGQTZLMLEILGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(7-12)4-3-5-10(2,13)8(9)6-11/h8,11-13H,3-7H2,1-2H3.
What are the key properties of 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol?
2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxymethyl)-1,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 134856428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).