3-methoxy-4-methylidenecyclohexan-1-ol

C8H14O2 — CID 91352795

IUPAC3-methoxy-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)CC1OC
InChIInChI=1S/C8H14O2/c1-6-3-4-7(9)5-8(6)10-2/h7-9H,1,3-5H2,2H3
InChIKeyLZDUACQBCBLHBZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds1

About 3-methoxy-4-methylidenecyclohexan-1-ol

3-methoxy-4-methylidenecyclohexan-1-ol (PubChem CID 91352795) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methoxy-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-4-methylidenecyclohexan-1-ol
PubChem CID91352795
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methoxy-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)CC1OC
InChIInChI=1S/C8H14O2/c1-6-3-4-7(9)5-8(6)10-2/h7-9H,1,3-5H2,2H3
InChIKeyLZDUACQBCBLHBZ-UHFFFAOYSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
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 3-methoxy-4-methylidenecyclohexan-1-ol?
The IUPAC name of 3-methoxy-4-methylidenecyclohexan-1-ol (CID 91352795) is 3-methoxy-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-4-methylidenecyclohexan-1-ol?
The canonical SMILES for 3-methoxy-4-methylidenecyclohexan-1-ol is C=C1CCC(O)CC1OC.
What is the InChIKey of 3-methoxy-4-methylidenecyclohexan-1-ol?
The InChIKey is LZDUACQBCBLHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-3-4-7(9)5-8(6)10-2/h7-9H,1,3-5H2,2H3.
What are the key properties of 3-methoxy-4-methylidenecyclohexan-1-ol?
3-methoxy-4-methylidenecyclohexan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91352795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).