3-(2-methylidenecyclohexyl)propan-1-ol

C10H18O — CID 15656820

IUPAC3-(2-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCCCC1CCCO
InChIInChI=1S/C10H18O/c1-9-5-2-3-6-10(9)7-4-8-11/h10-11H,1-8H2
InChIKeyMVPBFEZWWYZDSY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-methylidenecyclohexyl)propan-1-ol

3-(2-methylidenecyclohexyl)propan-1-ol (PubChem CID 15656820) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-(2-methylidenecyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylidenecyclohexyl)propan-1-ol
PubChem CID15656820
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-(2-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCCCC1CCCO
InChIInChI=1S/C10H18O/c1-9-5-2-3-6-10(9)7-4-8-11/h10-11H,1-8H2
InChIKeyMVPBFEZWWYZDSY-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-methylidenecyclohexyl)propan-1-ol?
The IUPAC name of 3-(2-methylidenecyclohexyl)propan-1-ol (CID 15656820) is 3-(2-methylidenecyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylidenecyclohexyl)propan-1-ol?
The canonical SMILES for 3-(2-methylidenecyclohexyl)propan-1-ol is C=C1CCCCC1CCCO.
What is the InChIKey of 3-(2-methylidenecyclohexyl)propan-1-ol?
The InChIKey is MVPBFEZWWYZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9-5-2-3-6-10(9)7-4-8-11/h10-11H,1-8H2.
What are the key properties of 3-(2-methylidenecyclohexyl)propan-1-ol?
3-(2-methylidenecyclohexyl)propan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenecyclohexyl)propan-1-ol is sourced from PubChem (CID 15656820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).