10-cyclohexyldec-1-en-1-one

C16H28O — CID 22114340

IUPAC10-cyclohexyldec-1-en-1-one
SMILESO=C=CCCCCCCCCC1CCCCC1
InChIInChI=1S/C16H28O/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h11,16H,1-10,12-14H2
InChIKeyCDUQFBFRCUEMSU-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.08
Rot. Bonds9

About 10-cyclohexyldec-1-en-1-one

10-cyclohexyldec-1-en-1-one (PubChem CID 22114340) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 10-cyclohexyldec-1-en-1-one.

Molecular Properties

Compound Name10-cyclohexyldec-1-en-1-one
PubChem CID22114340
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name10-cyclohexyldec-1-en-1-one
SMILESO=C=CCCCCCCCCC1CCCCC1
InChIInChI=1S/C16H28O/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h11,16H,1-10,12-14H2
InChIKeyCDUQFBFRCUEMSU-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyldec-1-en-1-one?
The IUPAC name of 10-cyclohexyldec-1-en-1-one (CID 22114340) is 10-cyclohexyldec-1-en-1-one.
What is the SMILES notation for 10-cyclohexyldec-1-en-1-one?
The canonical SMILES for 10-cyclohexyldec-1-en-1-one is O=C=CCCCCCCCCC1CCCCC1.
What is the InChIKey of 10-cyclohexyldec-1-en-1-one?
The InChIKey is CDUQFBFRCUEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h11,16H,1-10,12-14H2.
What are the key properties of 10-cyclohexyldec-1-en-1-one?
10-cyclohexyldec-1-en-1-one has a molecular weight of 236.40 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyldec-1-en-1-one is sourced from PubChem (CID 22114340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).