[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene

C23H36 — CID 177410240

IUPAC[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1C=C[C@](C)(c1ccccc1)C(C)C
InChIInChI=1S/C23H36/c1-17(2)22-13-12-19(5)16-20(22)14-15-23(6,18(3)4)21-10-8-7-9-11-21/h7-11,14-15,17-20,22H,12-13,16H2,1-6H3/t19-,20-,22-,23+/m1/s1
InChIKeyUQOVBFQRALYPAI-PRTQVNTJSA-N
MW312.54 g/mol
LogP6.86
Rot. Bonds5

About [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene

[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene (PubChem CID 177410240) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene.

Molecular Properties

Compound Name[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene
PubChem CID177410240
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1C=C[C@](C)(c1ccccc1)C(C)C
InChIInChI=1S/C23H36/c1-17(2)22-13-12-19(5)16-20(22)14-15-23(6,18(3)4)21-10-8-7-9-11-21/h7-11,14-15,17-20,22H,12-13,16H2,1-6H3/t19-,20-,22-,23+/m1/s1
InChIKeyUQOVBFQRALYPAI-PRTQVNTJSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

CID 10744805
CID 10744805
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464
(E)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]prop-2-enal
CID 131236652
[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 102589572
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxy-3-phenylbutanoate
CID 149190489
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
CID 10277160
CID 10277160
CID 10096491
CID 10096491

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene?
The IUPAC name of [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene (CID 177410240) is [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene.
What is the SMILES notation for [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene?
The canonical SMILES for [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene is CC(C)[C@H]1CC[C@@H](C)C[C@H]1C=C[C@](C)(c1ccccc1)C(C)C.
What is the InChIKey of [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene?
The InChIKey is UQOVBFQRALYPAI-PRTQVNTJSA-N. The full InChI is InChI=1S/C23H36/c1-17(2)22-13-12-19(5)16-20(22)14-15-23(6,18(3)4)21-10-8-7-9-11-21/h7-11,14-15,17-20,22H,12-13,16H2,1-6H3/t19-,20-,22-,23+/m1/s1.
What are the key properties of [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene?
[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene has a molecular weight of 312.54 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene is sourced from PubChem (CID 177410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).