1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one

C16H26O2 — CID 67370387

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one
SMILESCC(C)CCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C16H26O2/c1-14(2)8-4-3-5-11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyBFLYTKUEUFJRDV-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.92
Rot. Bonds10

About 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one

1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one (PubChem CID 67370387) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one
PubChem CID67370387
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one
SMILESCC(C)CCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C16H26O2/c1-14(2)8-4-3-5-11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyBFLYTKUEUFJRDV-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-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 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one (CID 67370387) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one is CC(C)CCCCCC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one?
The InChIKey is BFLYTKUEUFJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2)8-4-3-5-11-16(17)13-18-12-15-9-6-7-10-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one has a molecular weight of 250.38 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-8-methylnonan-2-one is sourced from PubChem (CID 67370387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).