cyclohexyl-(1-prop-2-enylcyclohexyl)methanone

C16H26O — CID 174667942

IUPACcyclohexyl-(1-prop-2-enylcyclohexyl)methanone
SMILESC=CCC1(C(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C16H26O/c1-2-11-16(12-7-4-8-13-16)15(17)14-9-5-3-6-10-14/h2,14H,1,3-13H2
InChIKeyRKPLUJBMURTJQP-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.66
Rot. Bonds4

About cyclohexyl-(1-prop-2-enylcyclohexyl)methanone

cyclohexyl-(1-prop-2-enylcyclohexyl)methanone (PubChem CID 174667942) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is cyclohexyl-(1-prop-2-enylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-prop-2-enylcyclohexyl)methanone
PubChem CID174667942
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Namecyclohexyl-(1-prop-2-enylcyclohexyl)methanone
SMILESC=CCC1(C(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C16H26O/c1-2-11-16(12-7-4-8-13-16)15(17)14-9-5-3-6-10-14/h2,14H,1,3-13H2
InChIKeyRKPLUJBMURTJQP-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-prop-2-enylcyclohexyl)methanone?
The IUPAC name of cyclohexyl-(1-prop-2-enylcyclohexyl)methanone (CID 174667942) is cyclohexyl-(1-prop-2-enylcyclohexyl)methanone.
What is the SMILES notation for cyclohexyl-(1-prop-2-enylcyclohexyl)methanone?
The canonical SMILES for cyclohexyl-(1-prop-2-enylcyclohexyl)methanone is C=CCC1(C(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of cyclohexyl-(1-prop-2-enylcyclohexyl)methanone?
The InChIKey is RKPLUJBMURTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-11-16(12-7-4-8-13-16)15(17)14-9-5-3-6-10-14/h2,14H,1,3-13H2.
What are the key properties of cyclohexyl-(1-prop-2-enylcyclohexyl)methanone?
cyclohexyl-(1-prop-2-enylcyclohexyl)methanone has a molecular weight of 234.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-prop-2-enylcyclohexyl)methanone is sourced from PubChem (CID 174667942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).