[4-(hydroxymethyl)cyclohexyl]methanediol

C8H16O3 — CID 66765229

IUPAC[4-(hydroxymethyl)cyclohexyl]methanediol
SMILESOCC1CCC(C(O)O)CC1
InChIInChI=1S/C8H16O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-11H,1-5H2
InChIKeyGCWNDTNATUNGMI-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.10
Rot. Bonds2

About [4-(hydroxymethyl)cyclohexyl]methanediol

[4-(hydroxymethyl)cyclohexyl]methanediol (PubChem CID 66765229) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl]methanediol.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl]methanediol
PubChem CID66765229
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methanediol
SMILESOCC1CCC(C(O)O)CC1
InChIInChI=1S/C8H16O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-11H,1-5H2
InChIKeyGCWNDTNATUNGMI-UHFFFAOYSA-N
XLogP0.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-Cyclohexanedimethanol
CID 7735
4-Methylcyclohexanemethanol
CID 118193
4-(Methoxymethyl)cyclohexanemethanol
CID 19938783
Cyclohexanebutanol
CID 78182
3-Methylheptane-1,1,7,7-tetrol
CID 92037131
2-Ethylhexane-1,1-diol
CID 111392
1,4-Cyclohexanedimethanol formate
CID 59755432
Carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol
CID 69382319
(3-Fluorocyclohexyl)methanediol
CID 67610376
[4-(Trifluoromethyl)cyclohexyl]methanediol
CID 131574173
Cyclohexane;2-cyclohexylethane-1,1-diol
CID 21922468
4-(ethoxymethyl)Cyclohexyl)methanol
CID 67066913

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl]methanediol?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl]methanediol (CID 66765229) is [4-(hydroxymethyl)cyclohexyl]methanediol.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl]methanediol?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl]methanediol is OCC1CCC(C(O)O)CC1.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl]methanediol?
The InChIKey is GCWNDTNATUNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-11H,1-5H2.
What are the key properties of [4-(hydroxymethyl)cyclohexyl]methanediol?
[4-(hydroxymethyl)cyclohexyl]methanediol has a molecular weight of 160.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl]methanediol is sourced from PubChem (CID 66765229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).