1-methyl-4-undecan-6-ylbenzene

C18H30 — CID 54207407

IUPAC1-methyl-4-undecan-6-ylbenzene
SMILESCCCCCC(CCCCC)c1ccc(C)cc1
InChIInChI=1S/C18H30/c1-4-6-8-10-17(11-9-7-5-2)18-14-12-16(3)13-15-18/h12-15,17H,4-11H2,1-3H3
InChIKeyPTMHYIXUBSUOSV-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.24
Rot. Bonds9

About 1-methyl-4-undecan-6-ylbenzene

1-methyl-4-undecan-6-ylbenzene (PubChem CID 54207407) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-methyl-4-undecan-6-ylbenzene.

Molecular Properties

Compound Name1-methyl-4-undecan-6-ylbenzene
PubChem CID54207407
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-methyl-4-undecan-6-ylbenzene
SMILESCCCCCC(CCCCC)c1ccc(C)cc1
InChIInChI=1S/C18H30/c1-4-6-8-10-17(11-9-7-5-2)18-14-12-16(3)13-15-18/h12-15,17H,4-11H2,1-3H3
InChIKeyPTMHYIXUBSUOSV-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.24
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

N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846
4-undecan-6-ylphenol
CID 66867197
4-hexadecan-7-ylphenol
CID 71320883
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
1-decan-3-yl-4-methylbenzene;formaldehyde;methanol;1-methyl-4-octan-2-ylbenzene;1-methyl-4-undecan-4-ylbenzene
CID 159351496
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-undecan-6-ylbenzene?
The IUPAC name of 1-methyl-4-undecan-6-ylbenzene (CID 54207407) is 1-methyl-4-undecan-6-ylbenzene.
What is the SMILES notation for 1-methyl-4-undecan-6-ylbenzene?
The canonical SMILES for 1-methyl-4-undecan-6-ylbenzene is CCCCCC(CCCCC)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-undecan-6-ylbenzene?
The InChIKey is PTMHYIXUBSUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-6-8-10-17(11-9-7-5-2)18-14-12-16(3)13-15-18/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-methyl-4-undecan-6-ylbenzene?
1-methyl-4-undecan-6-ylbenzene has a molecular weight of 246.44 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-undecan-6-ylbenzene is sourced from PubChem (CID 54207407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).