1-(3,6-dimethylhept-6-enyl)-2-methylbenzene

C16H24 — CID 176975448

IUPAC1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
SMILESC=C(C)CCC(C)CCc1ccccc1C
InChIInChI=1S/C16H24/c1-13(2)9-10-14(3)11-12-16-8-6-5-7-15(16)4/h5-8,14H,1,9-12H2,2-4H3
InChIKeyZXIYVZRBCJFDCT-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.92
Rot. Bonds6

About 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene

1-(3,6-dimethylhept-6-enyl)-2-methylbenzene (PubChem CID 176975448) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
PubChem CID176975448
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
SMILESC=C(C)CCC(C)CCc1ccccc1C
InChIInChI=1S/C16H24/c1-13(2)9-10-14(3)11-12-16-8-6-5-7-15(16)4/h5-8,14H,1,9-12H2,2-4H3
InChIKeyZXIYVZRBCJFDCT-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene?
The IUPAC name of 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene (CID 176975448) is 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene.
What is the SMILES notation for 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene?
The canonical SMILES for 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene is C=C(C)CCC(C)CCc1ccccc1C.
What is the InChIKey of 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene?
The InChIKey is ZXIYVZRBCJFDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-13(2)9-10-14(3)11-12-16-8-6-5-7-15(16)4/h5-8,14H,1,9-12H2,2-4H3.
What are the key properties of 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene?
1-(3,6-dimethylhept-6-enyl)-2-methylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylhept-6-enyl)-2-methylbenzene is sourced from PubChem (CID 176975448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).