(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol

C9H18O3 — CID 145057909

IUPAC(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol
SMILESCO[C@H](O)C1CCC(CO)CC1
InChIInChI=1S/C9H18O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyUPQGDJMYCDZPLI-HACHORDNSA-N
MW174.24 g/mol
LogP0.75
Rot. Bonds3

About (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol

(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol (PubChem CID 145057909) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol.

Molecular Properties

Compound Name(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol
PubChem CID145057909
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol
SMILESCO[C@H](O)C1CCC(CO)CC1
InChIInChI=1S/C9H18O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyUPQGDJMYCDZPLI-HACHORDNSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
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

(4-ethylcyclohexyl)-methoxymethanol
CID 89033232
[4-(hydroxymethyl)cyclohexyl]methanediol
CID 66765229
[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol
CID 84735797
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
CID 154096960
(3-aminocyclopentyl)-methoxymethanol
CID 123826301
1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
CID 126505676
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
[4-(difluoromethyl)cyclohexyl]methanol
CID 84716982
4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide
CID 91077724
CID 172731803
CID 172731803
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
CID 71186530

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol?
The IUPAC name of (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol (CID 145057909) is (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol.
What is the SMILES notation for (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol?
The canonical SMILES for (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol is CO[C@H](O)C1CCC(CO)CC1.
What is the InChIKey of (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol?
The InChIKey is UPQGDJMYCDZPLI-HACHORDNSA-N. The full InChI is InChI=1S/C9H18O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol?
(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol has a molecular weight of 174.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol is sourced from PubChem (CID 145057909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).