1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene

C14H20 — CID 83930880

IUPAC1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H20/c1-4-5-6-13(3)11-14-9-7-12(2)8-10-14/h5-10,13H,4,11H2,1-3H3/b6-5-
InChIKeyCCGNOMUHKAGVIT-WAYWQWQTSA-N
MW188.31 g/mol
LogP4.14
Rot. Bonds4

About 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene

1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene (PubChem CID 83930880) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
PubChem CID83930880
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H20/c1-4-5-6-13(3)11-14-9-7-12(2)8-10-14/h5-10,13H,4,11H2,1-3H3/b6-5-
InChIKeyCCGNOMUHKAGVIT-WAYWQWQTSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.14
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

2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
CID 83923027
(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337
1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
CID 83928267
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
CID 83934918
2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83934383
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
(Z)-5-methylhept-3-ene
CID 5364727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene?
The IUPAC name of 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene (CID 83930880) is 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene is CC/C=C\C(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene?
The InChIKey is CCGNOMUHKAGVIT-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20/c1-4-5-6-13(3)11-14-9-7-12(2)8-10-14/h5-10,13H,4,11H2,1-3H3/b6-5-.
What are the key properties of 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene?
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene is sourced from PubChem (CID 83930880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).