2-nonylidenecyclopentan-1-one

C14H24O — CID 53440718

IUPAC2-nonylidenecyclopentan-1-one
SMILESCCCCCCCCC=C1CCCC1=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(13)15/h10H,2-9,11-12H2,1H3
InChIKeySBZJQMAWLBKNDW-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.42
Rot. Bonds7

About 2-nonylidenecyclopentan-1-one

2-nonylidenecyclopentan-1-one (PubChem CID 53440718) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-nonylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-nonylidenecyclopentan-1-one
PubChem CID53440718
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-nonylidenecyclopentan-1-one
SMILESCCCCCCCCC=C1CCCC1=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(13)15/h10H,2-9,11-12H2,1H3
InChIKeySBZJQMAWLBKNDW-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nonylidenecyclopentan-1-one?
The IUPAC name of 2-nonylidenecyclopentan-1-one (CID 53440718) is 2-nonylidenecyclopentan-1-one.
What is the SMILES notation for 2-nonylidenecyclopentan-1-one?
The canonical SMILES for 2-nonylidenecyclopentan-1-one is CCCCCCCCC=C1CCCC1=O.
What is the InChIKey of 2-nonylidenecyclopentan-1-one?
The InChIKey is SBZJQMAWLBKNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(13)15/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-nonylidenecyclopentan-1-one?
2-nonylidenecyclopentan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylidenecyclopentan-1-one is sourced from PubChem (CID 53440718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).