1-(cyclopenten-1-yl)tridecan-1-one

C18H32O — CID 103448100

IUPAC1-(cyclopenten-1-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1=CCCC1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h14H,2-13,15-16H2,1H3
InChIKeyPYIPQDIHFXLHKA-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.98
Rot. Bonds12

About 1-(cyclopenten-1-yl)tridecan-1-one

1-(cyclopenten-1-yl)tridecan-1-one (PubChem CID 103448100) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)tridecan-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)tridecan-1-one
PubChem CID103448100
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-(cyclopenten-1-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1=CCCC1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h14H,2-13,15-16H2,1H3
InChIKeyPYIPQDIHFXLHKA-UHFFFAOYSA-N
XLogP5.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
CID 103448187
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
1-(cyclopenten-1-yl)hex-5-en-1-one
CID 103847180
pentyl cyclopentene-1-carboxylate
CID 86197593
dimethyl 3-hexanoylcyclohept-3-ene-1,1-dicarboxylate
CID 101465745
1-(4-acetylcyclohexen-1-yl)heptan-1-one
CID 10037125
1-(cyclohexen-1-yl)undec-2-yn-1-one
CID 175351861
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)tridecan-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)tridecan-1-one (CID 103448100) is 1-(cyclopenten-1-yl)tridecan-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)tridecan-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)tridecan-1-one is CCCCCCCCCCCCC(=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)tridecan-1-one?
The InChIKey is PYIPQDIHFXLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h14H,2-13,15-16H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)tridecan-1-one?
1-(cyclopenten-1-yl)tridecan-1-one has a molecular weight of 264.45 g/mol, XLogP of 5.98, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)tridecan-1-one is sourced from PubChem (CID 103448100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).