1-[(E)-hept-1-enyl]-2-methylbenzene

C14H20 — CID 12013068

IUPAC1-[(E)-hept-1-enyl]-2-methylbenzene
SMILESCCCCC/C=C/c1ccccc1C
InChIInChI=1S/C14H20/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h7-12H,3-6H2,1-2H3/b11-7+
InChIKeyWEXIRYYRJZIQDS-YRNVUSSQSA-N
MW188.31 g/mol
LogP4.59
Rot. Bonds5

About 1-[(E)-hept-1-enyl]-2-methylbenzene

1-[(E)-hept-1-enyl]-2-methylbenzene (PubChem CID 12013068) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[(E)-hept-1-enyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-hept-1-enyl]-2-methylbenzene
PubChem CID12013068
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-[(E)-hept-1-enyl]-2-methylbenzene
SMILESCCCCC/C=C/c1ccccc1C
InChIInChI=1S/C14H20/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h7-12H,3-6H2,1-2H3/b11-7+
InChIKeyWEXIRYYRJZIQDS-YRNVUSSQSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-1-enyl]-2-methylbenzene?
The IUPAC name of 1-[(E)-hept-1-enyl]-2-methylbenzene (CID 12013068) is 1-[(E)-hept-1-enyl]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-hept-1-enyl]-2-methylbenzene?
The canonical SMILES for 1-[(E)-hept-1-enyl]-2-methylbenzene is CCCCC/C=C/c1ccccc1C.
What is the InChIKey of 1-[(E)-hept-1-enyl]-2-methylbenzene?
The InChIKey is WEXIRYYRJZIQDS-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H20/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h7-12H,3-6H2,1-2H3/b11-7+.
What are the key properties of 1-[(E)-hept-1-enyl]-2-methylbenzene?
1-[(E)-hept-1-enyl]-2-methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-1-enyl]-2-methylbenzene is sourced from PubChem (CID 12013068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).