1,1'-biphenyl;4-methyloct-2-ene

C21H28 — CID 174736945

IUPAC1,1'-biphenyl;4-methyloct-2-ene
SMILESCC=CC(C)CCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6-8-9(3)7-5-2/h1-10H;5,7,9H,4,6,8H2,1-3H3
InChIKeyXZDFSZAEGMMUBO-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.74
Rot. Bonds5

About 1,1'-biphenyl;4-methyloct-2-ene

1,1'-biphenyl;4-methyloct-2-ene (PubChem CID 174736945) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,1'-biphenyl;4-methyloct-2-ene.

Molecular Properties

Compound Name1,1'-biphenyl;4-methyloct-2-ene
PubChem CID174736945
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1,1'-biphenyl;4-methyloct-2-ene
SMILESCC=CC(C)CCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6-8-9(3)7-5-2/h1-10H;5,7,9H,4,6,8H2,1-3H3
InChIKeyXZDFSZAEGMMUBO-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1'-biphenyl;4-methyloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(E)-4-methylicos-2-ene
CID 166512402
oct-2-en-4-ylbenzene
CID 73177891
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1,1'-biphenyl;hexadecane
CID 173308514
(Z)-4-methylhept-2-ene
CID 5352649
4,6-dimethyldec-2-ene
CID 123345769
(E,4R)-4-methyl-1-phenylnon-2-en-1-one
CID 102273779
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
azane;1,1'-biphenyl;butane
CID 155168826
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4-methyloct-2-ene?
The IUPAC name of 1,1'-biphenyl;4-methyloct-2-ene (CID 174736945) is 1,1'-biphenyl;4-methyloct-2-ene.
What is the SMILES notation for 1,1'-biphenyl;4-methyloct-2-ene?
The canonical SMILES for 1,1'-biphenyl;4-methyloct-2-ene is CC=CC(C)CCCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4-methyloct-2-ene?
The InChIKey is XZDFSZAEGMMUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C9H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6-8-9(3)7-5-2/h1-10H;5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 1,1'-biphenyl;4-methyloct-2-ene?
1,1'-biphenyl;4-methyloct-2-ene has a molecular weight of 280.45 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4-methyloct-2-ene is sourced from PubChem (CID 174736945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).