(1-methoxy-4-methylidenecyclohexyl)methanol

C9H16O2 — CID 10797007

IUPAC(1-methoxy-4-methylidenecyclohexyl)methanol
SMILESC=C1CCC(CO)(OC)CC1
InChIInChI=1S/C9H16O2/c1-8-3-5-9(7-10,11-2)6-4-8/h10H,1,3-7H2,2H3
InChIKeyFVYIWUVLYHGSRH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About (1-methoxy-4-methylidenecyclohexyl)methanol

(1-methoxy-4-methylidenecyclohexyl)methanol (PubChem CID 10797007) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1-methoxy-4-methylidenecyclohexyl)methanol.

Molecular Properties

Compound Name(1-methoxy-4-methylidenecyclohexyl)methanol
PubChem CID10797007
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1-methoxy-4-methylidenecyclohexyl)methanol
SMILESC=C1CCC(CO)(OC)CC1
InChIInChI=1S/C9H16O2/c1-8-3-5-9(7-10,11-2)6-4-8/h10H,1,3-7H2,2H3
InChIKeyFVYIWUVLYHGSRH-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylidenecyclohexyl)methanol?
The IUPAC name of (1-methoxy-4-methylidenecyclohexyl)methanol (CID 10797007) is (1-methoxy-4-methylidenecyclohexyl)methanol.
What is the SMILES notation for (1-methoxy-4-methylidenecyclohexyl)methanol?
The canonical SMILES for (1-methoxy-4-methylidenecyclohexyl)methanol is C=C1CCC(CO)(OC)CC1.
What is the InChIKey of (1-methoxy-4-methylidenecyclohexyl)methanol?
The InChIKey is FVYIWUVLYHGSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-3-5-9(7-10,11-2)6-4-8/h10H,1,3-7H2,2H3.
What are the key properties of (1-methoxy-4-methylidenecyclohexyl)methanol?
(1-methoxy-4-methylidenecyclohexyl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylidenecyclohexyl)methanol is sourced from PubChem (CID 10797007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).