1-methyl-3-oct-1-en-2-ylbenzene

C15H22 — CID 102357647

IUPAC1-methyl-3-oct-1-en-2-ylbenzene
SMILESC=C(CCCCCC)c1cccc(C)c1
InChIInChI=1S/C15H22/c1-4-5-6-7-10-14(3)15-11-8-9-13(2)12-15/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyBBLBQALZQGDECO-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds6

About 1-methyl-3-oct-1-en-2-ylbenzene

1-methyl-3-oct-1-en-2-ylbenzene (PubChem CID 102357647) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-3-oct-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-oct-1-en-2-ylbenzene
PubChem CID102357647
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-3-oct-1-en-2-ylbenzene
SMILESC=C(CCCCCC)c1cccc(C)c1
InChIInChI=1S/C15H22/c1-4-5-6-7-10-14(3)15-11-8-9-13(2)12-15/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyBBLBQALZQGDECO-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3-hept-1-en-2-ylphenol
CID 67877089
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
CID 101317980
CID 101317980
CID 101317896
CID 101317896
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
CID 174102680
CID 174102680
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
3-(3-methylphenyl)but-3-enenitrile
CID 166829284
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
4-tetracos-1-en-2-ylpyridine
CID 69120272
heptadecyl 3-methylbenzoate
CID 530478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oct-1-en-2-ylbenzene?
The IUPAC name of 1-methyl-3-oct-1-en-2-ylbenzene (CID 102357647) is 1-methyl-3-oct-1-en-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-oct-1-en-2-ylbenzene?
The canonical SMILES for 1-methyl-3-oct-1-en-2-ylbenzene is C=C(CCCCCC)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-oct-1-en-2-ylbenzene?
The InChIKey is BBLBQALZQGDECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-5-6-7-10-14(3)15-11-8-9-13(2)12-15/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-methyl-3-oct-1-en-2-ylbenzene?
1-methyl-3-oct-1-en-2-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oct-1-en-2-ylbenzene is sourced from PubChem (CID 102357647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).