1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone

C15H24O2 — CID 606240

IUPAC1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone
SMILESC=C(C)C=CC1C(C)(C)CCC1(OC)C(C)=O
InChIInChI=1S/C15H24O2/c1-11(2)7-8-13-14(4,5)9-10-15(13,17-6)12(3)16/h7-8,13H,1,9-10H2,2-6H3
InChIKeyJAHGFBJTIDFFAM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.53
Rot. Bonds4

About 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone

1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone (PubChem CID 606240) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone
PubChem CID606240
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone
SMILESC=C(C)C=CC1C(C)(C)CCC1(OC)C(C)=O
InChIInChI=1S/C15H24O2/c1-11(2)7-8-13-14(4,5)9-10-15(13,17-6)12(3)16/h7-8,13H,1,9-10H2,2-6H3
InChIKeyJAHGFBJTIDFFAM-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone (CID 606240) is 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone is C=C(C)C=CC1C(C)(C)CCC1(OC)C(C)=O.
What is the InChIKey of 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone?
The InChIKey is JAHGFBJTIDFFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)7-8-13-14(4,5)9-10-15(13,17-6)12(3)16/h7-8,13H,1,9-10H2,2-6H3.
What are the key properties of 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone?
1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-3,3-dimethyl-2-(3-methylbuta-1,3-dienyl)cyclopentyl]ethanone is sourced from PubChem (CID 606240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).