1-(6-methylheptyl)-4-(2-methylpropyl)benzene

C18H30 — CID 140836779

IUPAC1-(6-methylheptyl)-4-(2-methylpropyl)benzene
SMILESCC(C)CCCCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30/c1-15(2)8-6-5-7-9-17-10-12-18(13-11-17)14-16(3)4/h10-13,15-16H,5-9,14H2,1-4H3
InChIKeyGOAQTWQJSGRNCL-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.64
Rot. Bonds8

About 1-(6-methylheptyl)-4-(2-methylpropyl)benzene

1-(6-methylheptyl)-4-(2-methylpropyl)benzene (PubChem CID 140836779) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-(6-methylheptyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(6-methylheptyl)-4-(2-methylpropyl)benzene
PubChem CID140836779
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-(6-methylheptyl)-4-(2-methylpropyl)benzene
SMILESCC(C)CCCCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30/c1-15(2)8-6-5-7-9-17-10-12-18(13-11-17)14-16(3)4/h10-13,15-16H,5-9,14H2,1-4H3
InChIKeyGOAQTWQJSGRNCL-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.64
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

1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
4-(7-methyloctyl)benzaldehyde
CID 173431651
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-(6-methylheptyl)benzoic acid
CID 70349425
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731
1-butyl-4-[2-[4-(6-methylheptyl)phenyl]ethynyl]benzene
CID 139767207
1-(6-methylheptyl)-4-[2-(4-octylphenyl)ethynyl]benzene
CID 139767194
N-(4-bromophenyl)-4-(6-methylheptyl)-N-[4-(6-methylheptyl)phenyl]aniline
CID 141463678
5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
CID 139601485

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(6-methylheptyl)-4-(2-methylpropyl)benzene (CID 140836779) is 1-(6-methylheptyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(6-methylheptyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(6-methylheptyl)-4-(2-methylpropyl)benzene is CC(C)CCCCCc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(6-methylheptyl)-4-(2-methylpropyl)benzene?
The InChIKey is GOAQTWQJSGRNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-15(2)8-6-5-7-9-17-10-12-18(13-11-17)14-16(3)4/h10-13,15-16H,5-9,14H2,1-4H3.
What are the key properties of 1-(6-methylheptyl)-4-(2-methylpropyl)benzene?
1-(6-methylheptyl)-4-(2-methylpropyl)benzene has a molecular weight of 246.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 140836779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).