(4,4-dimethoxycyclohexyl)methanol

C9H18O3 — CID 59236849

IUPAC(4,4-dimethoxycyclohexyl)methanol
SMILESCOC1(OC)CCC(CO)CC1
InChIInChI=1S/C9H18O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3
InChIKeyPXFYBMNWJONODH-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds3

About (4,4-dimethoxycyclohexyl)methanol

(4,4-dimethoxycyclohexyl)methanol (PubChem CID 59236849) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (4,4-dimethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4,4-dimethoxycyclohexyl)methanol
PubChem CID59236849
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(4,4-dimethoxycyclohexyl)methanol
SMILESCOC1(OC)CCC(CO)CC1
InChIInChI=1S/C9H18O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3
InChIKeyPXFYBMNWJONODH-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethoxycyclohexyl)methanol?
The IUPAC name of (4,4-dimethoxycyclohexyl)methanol (CID 59236849) is (4,4-dimethoxycyclohexyl)methanol.
What is the SMILES notation for (4,4-dimethoxycyclohexyl)methanol?
The canonical SMILES for (4,4-dimethoxycyclohexyl)methanol is COC1(OC)CCC(CO)CC1.
What is the InChIKey of (4,4-dimethoxycyclohexyl)methanol?
The InChIKey is PXFYBMNWJONODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3.
What are the key properties of (4,4-dimethoxycyclohexyl)methanol?
(4,4-dimethoxycyclohexyl)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethoxycyclohexyl)methanol is sourced from PubChem (CID 59236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).