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

C11H20O — CID 121218321

IUPAC3-(2-methylidenecycloheptyl)propan-1-ol
SMILESC=C1CCCCCC1CCCO
InChIInChI=1S/C11H20O/c1-10-6-3-2-4-7-11(10)8-5-9-12/h11-12H,1-9H2
InChIKeyORVYDRYXOZFPPW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds3

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

3-(2-methylidenecycloheptyl)propan-1-ol (PubChem CID 121218321) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(2-methylidenecycloheptyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylidenecycloheptyl)propan-1-ol
PubChem CID121218321
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-(2-methylidenecycloheptyl)propan-1-ol
SMILESC=C1CCCCCC1CCCO
InChIInChI=1S/C11H20O/c1-10-6-3-2-4-7-11(10)8-5-9-12/h11-12H,1-9H2
InChIKeyORVYDRYXOZFPPW-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
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-methylidenecycloheptyl)propan-1-ol?
The IUPAC name of 3-(2-methylidenecycloheptyl)propan-1-ol (CID 121218321) is 3-(2-methylidenecycloheptyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylidenecycloheptyl)propan-1-ol?
The canonical SMILES for 3-(2-methylidenecycloheptyl)propan-1-ol is C=C1CCCCCC1CCCO.
What is the InChIKey of 3-(2-methylidenecycloheptyl)propan-1-ol?
The InChIKey is ORVYDRYXOZFPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10-6-3-2-4-7-11(10)8-5-9-12/h11-12H,1-9H2.
What are the key properties of 3-(2-methylidenecycloheptyl)propan-1-ol?
3-(2-methylidenecycloheptyl)propan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenecycloheptyl)propan-1-ol is sourced from PubChem (CID 121218321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).