1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one

C17H28O2 — CID 67420374

IUPAC1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
SMILESCCCCCCCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-14-16(18)17(19-2)15-12-10-11-13-15/h10-13,15,17H,3-9,14H2,1-2H3
InChIKeySODNPNZEQKDUJZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.45
Rot. Bonds11

About 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one

1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one (PubChem CID 67420374) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
PubChem CID67420374
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
SMILESCCCCCCCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-14-16(18)17(19-2)15-12-10-11-13-15/h10-13,15,17H,3-9,14H2,1-2H3
InChIKeySODNPNZEQKDUJZ-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one
CID 67418604
1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
CID 67436154
1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
CID 118577342
1,1-dimethoxyoctadecan-2-one
CID 54059971
4-methoxypentadecan-5-one
CID 116708152
2-methoxy-3-oxoundecanamide
CID 91551788
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
1,1-diethoxydodecan-2-one
CID 79494973
2-ethyl-3-oxoicosanoic acid
CID 57213641

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one (CID 67420374) is 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one is CCCCCCCCCC(=O)C(OC)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one?
The InChIKey is SODNPNZEQKDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-14-16(18)17(19-2)15-12-10-11-13-15/h10-13,15,17H,3-9,14H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one?
1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.45, 11 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-yl-1-methoxyundecan-2-one is sourced from PubChem (CID 67420374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).