3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one

C15H24O2 — CID 151659680

IUPAC3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one
SMILESCCCCC(CC)CC(=O)C1(OC)C=CC=C1
InChIInChI=1S/C15H24O2/c1-4-6-9-13(5-2)12-14(16)15(17-3)10-7-8-11-15/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyQWGQONRVKLJCNL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.67
Rot. Bonds8

About 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one

3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one (PubChem CID 151659680) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one
PubChem CID151659680
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one
SMILESCCCCC(CC)CC(=O)C1(OC)C=CC=C1
InChIInChI=1S/C15H24O2/c1-4-6-9-13(5-2)12-14(16)15(17-3)10-7-8-11-15/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyQWGQONRVKLJCNL-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

Analyze 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-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 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one?
The IUPAC name of 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one (CID 151659680) is 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one.
What is the SMILES notation for 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one?
The canonical SMILES for 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one is CCCCC(CC)CC(=O)C1(OC)C=CC=C1.
What is the InChIKey of 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one?
The InChIKey is QWGQONRVKLJCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-9-13(5-2)12-14(16)15(17-3)10-7-8-11-15/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one?
3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-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 3-ethyl-1-(1-methoxycyclopenta-2,4-dien-1-yl)heptan-1-one is sourced from PubChem (CID 151659680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).