1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one

C15H24O2 — CID 150206166

IUPAC1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
SMILESCOC1(C(=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyFQNLVMIVDDPBLQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.67
Rot. Bonds8

About 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one

1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one (PubChem CID 150206166) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
PubChem CID150206166
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
SMILESCOC1(C(=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyFQNLVMIVDDPBLQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-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-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The IUPAC name of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one (CID 150206166) is 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one.
What is the SMILES notation for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The canonical SMILES for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one is COC1(C(=O)CCCCCC(C)C)C=CC=C1.
What is the InChIKey of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The InChIKey is FQNLVMIVDDPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one is sourced from PubChem (CID 150206166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).