1-methyl-2-(2-methylhept-2-en-3-yl)benzene

C15H22 — CID 142356923

IUPAC1-methyl-2-(2-methylhept-2-en-3-yl)benzene
SMILESCCCCC(=C(C)C)c1ccccc1C
InChIInChI=1S/C15H22/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyNUNLBOLDPUTVOF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds4

About 1-methyl-2-(2-methylhept-2-en-3-yl)benzene

1-methyl-2-(2-methylhept-2-en-3-yl)benzene (PubChem CID 142356923) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-2-(2-methylhept-2-en-3-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylhept-2-en-3-yl)benzene
PubChem CID142356923
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-2-(2-methylhept-2-en-3-yl)benzene
SMILESCCCCC(=C(C)C)c1ccccc1C
InChIInChI=1S/C15H22/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyNUNLBOLDPUTVOF-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylhept-2-en-3-yl)benzene?
The IUPAC name of 1-methyl-2-(2-methylhept-2-en-3-yl)benzene (CID 142356923) is 1-methyl-2-(2-methylhept-2-en-3-yl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylhept-2-en-3-yl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylhept-2-en-3-yl)benzene is CCCCC(=C(C)C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylhept-2-en-3-yl)benzene?
The InChIKey is NUNLBOLDPUTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylhept-2-en-3-yl)benzene?
1-methyl-2-(2-methylhept-2-en-3-yl)benzene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylhept-2-en-3-yl)benzene is sourced from PubChem (CID 142356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).