5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one

C16H28O2 — CID 59143683

IUPAC5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(OCC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13(3)4)18-11-14-7-5-6-8-14/h12,14,16H,3,5-11H2,1-2,4H3
InChIKeyMRJZBVPXCFAVHR-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.14
Rot. Bonds8

About 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one

5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one (PubChem CID 59143683) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one
PubChem CID59143683
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(OCC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13(3)4)18-11-14-7-5-6-8-14/h12,14,16H,3,5-11H2,1-2,4H3
InChIKeyMRJZBVPXCFAVHR-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one?
The IUPAC name of 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one (CID 59143683) is 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one.
What is the SMILES notation for 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one?
The canonical SMILES for 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one is C=C(C)CC(OCC1CCCC1)C(=O)CC(C)C.
What is the InChIKey of 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one?
The InChIKey is MRJZBVPXCFAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13(3)4)18-11-14-7-5-6-8-14/h12,14,16H,3,5-11H2,1-2,4H3.
What are the key properties of 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one?
5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one has a molecular weight of 252.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one is sourced from PubChem (CID 59143683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).