1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene

C16H22 — CID 143865907

IUPAC1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
SMILESC=C(C)CCCCC(=C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-13(2)7-5-6-8-15(4)16-11-9-14(3)10-12-16/h9-12H,1,4-8H2,2-3H3
InChIKeyALXFSQUDFJJADW-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.14
Rot. Bonds6

About 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene

1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene (PubChem CID 143865907) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
PubChem CID143865907
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
SMILESC=C(C)CCCCC(=C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-13(2)7-5-6-8-15(4)16-11-9-14(3)10-12-16/h9-12H,1,4-8H2,2-3H3
InChIKeyALXFSQUDFJJADW-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene
CID 143117352
1-methyl-4-(8-phenyloct-1-en-7-yn-2-yl)benzene
CID 166448261
1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
CID 163776983
(3E,5E)-3,6-dimethylnona-3,5-diene;ethane;1-ethyl-4-(7-methylocta-1,7-dien-2-yl)benzene;1-[3-(4-methylphenyl)propyl]pyrrolidine
CID 143866030
ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
ethane;methanamine;9-methyl-N-[(E)-2-(4-methylphenyl)-1-phenylprop-1-enyl]dec-9-en-2-imine
CID 143260857
1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
CID 122397383

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene?
The IUPAC name of 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene (CID 143865907) is 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene is C=C(C)CCCCC(=C)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene?
The InChIKey is ALXFSQUDFJJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-13(2)7-5-6-8-15(4)16-11-9-14(3)10-12-16/h9-12H,1,4-8H2,2-3H3.
What are the key properties of 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene?
1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene has a molecular weight of 214.35 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene is sourced from PubChem (CID 143865907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).