[(Z)-5-methylhex-3-enyl]benzene

C13H18 — CID 13403768

IUPAC[(Z)-5-methylhex-3-enyl]benzene
SMILESCC(C)/C=C\CCc1ccccc1
InChIInChI=1S/C13H18/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-6,8-10,12H,7,11H2,1-2H3/b8-6-
InChIKeyLFTFTZLRJZVVBF-VURMDHGXSA-N
MW174.29 g/mol
LogP3.83
Rot. Bonds4

About [(Z)-5-methylhex-3-enyl]benzene

[(Z)-5-methylhex-3-enyl]benzene (PubChem CID 13403768) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(Z)-5-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-5-methylhex-3-enyl]benzene
PubChem CID13403768
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(Z)-5-methylhex-3-enyl]benzene
SMILESCC(C)/C=C\CCc1ccccc1
InChIInChI=1S/C13H18/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-6,8-10,12H,7,11H2,1-2H3/b8-6-
InChIKeyLFTFTZLRJZVVBF-VURMDHGXSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
3-[(E)-6-phenylhex-3-en-2-yl]pentane-2,4-dione
CID 122393603
pent-3-enylbenzene
CID 519421
(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
CID 101465131
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
(2R)-2-hydroxy-6-phenylhex-3-enoic acid
CID 67831587
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
(E)-1,1-difluoro-2-methyl-6-phenylhex-3-en-1-ol;methanesulfonic acid
CID 171377662
[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane
CID 56641937
[(E)-5-chloropent-3-enyl]benzene
CID 101263863

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-methylhex-3-enyl]benzene?
The IUPAC name of [(Z)-5-methylhex-3-enyl]benzene (CID 13403768) is [(Z)-5-methylhex-3-enyl]benzene.
What is the SMILES notation for [(Z)-5-methylhex-3-enyl]benzene?
The canonical SMILES for [(Z)-5-methylhex-3-enyl]benzene is CC(C)/C=C\CCc1ccccc1.
What is the InChIKey of [(Z)-5-methylhex-3-enyl]benzene?
The InChIKey is LFTFTZLRJZVVBF-VURMDHGXSA-N. The full InChI is InChI=1S/C13H18/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-6,8-10,12H,7,11H2,1-2H3/b8-6-.
What are the key properties of [(Z)-5-methylhex-3-enyl]benzene?
[(Z)-5-methylhex-3-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-methylhex-3-enyl]benzene is sourced from PubChem (CID 13403768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).