trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one

C15H24O2 — CID 162896622

IUPACtrans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@@H]1CCC(=O)[C@H]([C@H](C)CCC(C)=O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-7-8-15(17)14(9-13)11(3)5-6-12(4)16/h11,13-14H,1,5-9H2,2-4H3/t11-,13-,14+/m1/s1
InChIKeyVTZKQIJVPOTFTD-BNOWGMLFSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds5

About trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one

trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 162896622) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one
PubChem CID162896622
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nametrans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@@H]1CCC(=O)[C@H]([C@H](C)CCC(C)=O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-7-8-15(17)14(9-13)11(3)5-6-12(4)16/h11,13-14H,1,5-9H2,2-4H3/t11-,13-,14+/m1/s1
InChIKeyVTZKQIJVPOTFTD-BNOWGMLFSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one (CID 162896622) is trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one is C=C(C)[C@@H]1CCC(=O)[C@H]([C@H](C)CCC(C)=O)C1.
What is the InChIKey of trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is VTZKQIJVPOTFTD-BNOWGMLFSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)13-7-8-15(17)14(9-13)11(3)5-6-12(4)16/h11,13-14H,1,5-9H2,2-4H3/t11-,13-,14+/m1/s1.
What are the key properties of trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one?
trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4R)-2-[(2R)-5-oxohexan-2-yl]-4-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 162896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).