[(2R)-2-methylpent-4-enyl]benzene

C12H16 — CID 163762006

IUPAC[(2R)-2-methylpent-4-enyl]benzene
SMILESC=CC[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H16/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3/t11-/m1/s1
InChIKeyLYYVKHFLMSIVKE-LLVKDONJSA-N
MW160.26 g/mol
LogP3.44
Rot. Bonds4

About [(2R)-2-methylpent-4-enyl]benzene

[(2R)-2-methylpent-4-enyl]benzene (PubChem CID 163762006) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is [(2R)-2-methylpent-4-enyl]benzene.

Molecular Properties

Compound Name[(2R)-2-methylpent-4-enyl]benzene
PubChem CID163762006
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name[(2R)-2-methylpent-4-enyl]benzene
SMILESC=CC[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H16/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3/t11-/m1/s1
InChIKeyLYYVKHFLMSIVKE-LLVKDONJSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2R)-2-methylpent-4-enyl]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

4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-phenylpropane-1-thiol
CID 19981761
(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
CID 67879013
N-[(2R)-1-phenylpent-4-en-2-yl]propan-2-imine
CID 125466288
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpent-4-enyl]benzene?
The IUPAC name of [(2R)-2-methylpent-4-enyl]benzene (CID 163762006) is [(2R)-2-methylpent-4-enyl]benzene.
What is the SMILES notation for [(2R)-2-methylpent-4-enyl]benzene?
The canonical SMILES for [(2R)-2-methylpent-4-enyl]benzene is C=CC[C@@H](C)Cc1ccccc1.
What is the InChIKey of [(2R)-2-methylpent-4-enyl]benzene?
The InChIKey is LYYVKHFLMSIVKE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methylpent-4-enyl]benzene?
[(2R)-2-methylpent-4-enyl]benzene has a molecular weight of 160.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpent-4-enyl]benzene is sourced from PubChem (CID 163762006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).