1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene

C19H30 — CID 159400113

IUPAC1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene
SMILESCc1cc(C(C)C)cc(C(C)C)c1/C=C\CC(C)C
InChIInChI=1S/C19H30/c1-13(2)9-8-10-18-16(7)11-17(14(3)4)12-19(18)15(5)6/h8,10-15H,9H2,1-7H3/b10-8-
InChIKeyMBSCJVYDLRIHLU-NTMALXAHSA-N
MW258.45 g/mol
LogP6.30
Rot. Bonds5

About 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene

1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene (PubChem CID 159400113) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene
PubChem CID159400113
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene
SMILESCc1cc(C(C)C)cc(C(C)C)c1/C=C\CC(C)C
InChIInChI=1S/C19H30/c1-13(2)9-8-10-18-16(7)11-17(14(3)4)12-19(18)15(5)6/h8,10-15H,9H2,1-7H3/b10-8-
InChIKeyMBSCJVYDLRIHLU-NTMALXAHSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene (CID 159400113) is 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene is Cc1cc(C(C)C)cc(C(C)C)c1/C=C\CC(C)C.
What is the InChIKey of 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene?
The InChIKey is MBSCJVYDLRIHLU-NTMALXAHSA-N. The full InChI is InChI=1S/C19H30/c1-13(2)9-8-10-18-16(7)11-17(14(3)4)12-19(18)15(5)6/h8,10-15H,9H2,1-7H3/b10-8-.
What are the key properties of 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene?
1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene has a molecular weight of 258.45 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 159400113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).