cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one

C14H24O — CID 11572009

IUPACcis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
SMILESC=C(C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O
InChIInChI=1S/C14H24O/c1-10(2)9-14(4,5)12-7-6-11(3)8-13(12)15/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1
InChIKeyRNFBHLVEVVUIQR-NEPJUHHUSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds3

About cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one

cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one (PubChem CID 11572009) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
PubChem CID11572009
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
SMILESC=C(C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O
InChIInChI=1S/C14H24O/c1-10(2)9-14(4,5)12-7-6-11(3)8-13(12)15/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1
InChIKeyRNFBHLVEVVUIQR-NEPJUHHUSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(2S,5R)-2-(2,5-dimethylhex-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11694263
(E)-5-methyl-5-(4-methyl-2-oxocyclohexyl)hex-2-enoic acid
CID 14195347
2-(2-chloropropan-2-yl)-5-methylcyclohexan-1-one
CID 15563355
5-methyl-2-(2,4,6-trimethylheptan-2-yl)cyclohexan-1-one
CID 114201371
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one
CID 64765166
5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
CID 64764789
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 114934401
5-methyl-2-(2-methyl-4-propan-2-ylsulfonylbutan-2-yl)cyclohexan-1-one
CID 106732173
2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 64764973
5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
CID 64764987
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
CID 10537454

Frequently Asked Questions

What is the IUPAC name of cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one?
The IUPAC name of cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one (CID 11572009) is cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one?
The canonical SMILES for cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one is C=C(C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O.
What is the InChIKey of cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one?
The InChIKey is RNFBHLVEVVUIQR-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)9-14(4,5)12-7-6-11(3)8-13(12)15/h11-12H,1,6-9H2,2-5H3/t11-,12+/m1/s1.
What are the key properties of cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one?
cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one has a molecular weight of 208.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one is sourced from PubChem (CID 11572009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).