cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one

C15H24O2 — CID 11195724

IUPACcis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@H]1CC[C@@](C)(CCC(=O)CC)C(=O)C1
InChIInChI=1S/C15H24O2/c1-5-13(16)7-9-15(4)8-6-12(11(2)3)10-14(15)17/h12H,2,5-10H2,1,3-4H3/t12-,15-/m0/s1
InChIKeyAXZMLFSPZVYDOO-WFASDCNBSA-N
MW236.35 g/mol
LogP3.70
Rot. Bonds5

About cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one

cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 11195724) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one
PubChem CID11195724
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@H]1CC[C@@](C)(CCC(=O)CC)C(=O)C1
InChIInChI=1S/C15H24O2/c1-5-13(16)7-9-15(4)8-6-12(11(2)3)10-14(15)17/h12H,2,5-10H2,1,3-4H3/t12-,15-/m0/s1
InChIKeyAXZMLFSPZVYDOO-WFASDCNBSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-3-[(1S,4R)-1-methyl-2-oxo-4-prop-1-en-2-ylcyclohexyl]propanoic acid
CID 101458042
(4R)-7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one
CID 53297421
N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide
CID 71510577
cis-(2R,5S)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
CID 101163519
[(E)-[(2R,5R)-2-(2-cyanoethyl)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]amino]urea
CID 5384338
(2R,3S,5S)-2-chloro-2,3-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 158141437
(2S,3S,6S)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
CID 16655281
(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 5316284
(1S,4S,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-one
CID 102385862
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
(1-acetyloxy-2-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
CID 91573229
ethyl 3-[(3aS,6R)-3a-methyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydroinden-1-yl]-3-oxopropanoate
CID 11953569

Frequently Asked Questions

What is the IUPAC name of cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one (CID 11195724) is cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one is C=C(C)[C@H]1CC[C@@](C)(CCC(=O)CC)C(=O)C1.
What is the InChIKey of cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is AXZMLFSPZVYDOO-WFASDCNBSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-13(16)7-9-15(4)8-6-12(11(2)3)10-14(15)17/h12H,2,5-10H2,1,3-4H3/t12-,15-/m0/s1.
What are the key properties of cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one?
cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 11195724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).