2-ethoxy-4-methylidenecyclohexan-1-ol

C9H16O2 — CID 91497531

IUPAC2-ethoxy-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)C(OCC)C1
InChIInChI=1S/C9H16O2/c1-3-11-9-6-7(2)4-5-8(9)10/h8-10H,2-6H2,1H3
InChIKeyOBXHHZIMVRRMAW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About 2-ethoxy-4-methylidenecyclohexan-1-ol

2-ethoxy-4-methylidenecyclohexan-1-ol (PubChem CID 91497531) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethoxy-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2-ethoxy-4-methylidenecyclohexan-1-ol
PubChem CID91497531
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethoxy-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)C(OCC)C1
InChIInChI=1S/C9H16O2/c1-3-11-9-6-7(2)4-5-8(9)10/h8-10H,2-6H2,1H3
InChIKeyOBXHHZIMVRRMAW-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 2-ethoxy-4-methylidenecyclohexan-1-ol?
The IUPAC name of 2-ethoxy-4-methylidenecyclohexan-1-ol (CID 91497531) is 2-ethoxy-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2-ethoxy-4-methylidenecyclohexan-1-ol?
The canonical SMILES for 2-ethoxy-4-methylidenecyclohexan-1-ol is C=C1CCC(O)C(OCC)C1.
What is the InChIKey of 2-ethoxy-4-methylidenecyclohexan-1-ol?
The InChIKey is OBXHHZIMVRRMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-9-6-7(2)4-5-8(9)10/h8-10H,2-6H2,1H3.
What are the key properties of 2-ethoxy-4-methylidenecyclohexan-1-ol?
2-ethoxy-4-methylidenecyclohexan-1-ol 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 2-ethoxy-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91497531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).