1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene

C17H26 — CID 134953023

IUPAC1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene
SMILESCCCCC(/C=C\c1ccc(C)cc1)C(C)C
InChIInChI=1S/C17H26/c1-5-6-7-17(14(2)3)13-12-16-10-8-15(4)9-11-16/h8-14,17H,5-7H2,1-4H3/b13-12-
InChIKeyNGJBCRINQBUAFM-SEYXRHQNSA-N
MW230.39 g/mol
LogP5.47
Rot. Bonds6

About 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene

1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene (PubChem CID 134953023) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene
PubChem CID134953023
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene
SMILESCCCCC(/C=C\c1ccc(C)cc1)C(C)C
InChIInChI=1S/C17H26/c1-5-6-7-17(14(2)3)13-12-16-10-8-15(4)9-11-16/h8-14,17H,5-7H2,1-4H3/b13-12-
InChIKeyNGJBCRINQBUAFM-SEYXRHQNSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene (CID 134953023) is 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene is CCCCC(/C=C\c1ccc(C)cc1)C(C)C.
What is the InChIKey of 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene?
The InChIKey is NGJBCRINQBUAFM-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H26/c1-5-6-7-17(14(2)3)13-12-16-10-8-15(4)9-11-16/h8-14,17H,5-7H2,1-4H3/b13-12-.
What are the key properties of 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene?
1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene has a molecular weight of 230.39 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene is sourced from PubChem (CID 134953023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).