5-methylundecan-6-ylbenzene

C18H30 — CID 173025924

IUPAC5-methylundecan-6-ylbenzene
SMILESCCCCCC(c1ccccc1)C(C)CCCC
InChIInChI=1S/C18H30/c1-4-6-9-15-18(16(3)12-7-5-2)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,4-7,9,12,15H2,1-3H3
InChIKeyKVFIVBUGVCEKSI-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.18
Rot. Bonds9

About 5-methylundecan-6-ylbenzene

5-methylundecan-6-ylbenzene (PubChem CID 173025924) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 5-methylundecan-6-ylbenzene.

Molecular Properties

Compound Name5-methylundecan-6-ylbenzene
PubChem CID173025924
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name5-methylundecan-6-ylbenzene
SMILESCCCCCC(c1ccccc1)C(C)CCCC
InChIInChI=1S/C18H30/c1-4-6-9-15-18(16(3)12-7-5-2)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,4-7,9,12,15H2,1-3H3
InChIKeyKVFIVBUGVCEKSI-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
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-bromo-2-methylnonyl)benzene
CID 104846505
4-ethylnonan-5-ylbenzene
CID 173025957
10-phenyltetradecan-5-ylbenzene
CID 22891787
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
2-methyl-3-phenylpentadecanethioic S-acid
CID 88687395
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
tris(1-phenylhexyl) phosphate
CID 69250581
(2-methyl-1-propan-2-yloxyhexyl)benzene
CID 118530861
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044

Frequently Asked Questions

What is the IUPAC name of 5-methylundecan-6-ylbenzene?
The IUPAC name of 5-methylundecan-6-ylbenzene (CID 173025924) is 5-methylundecan-6-ylbenzene.
What is the SMILES notation for 5-methylundecan-6-ylbenzene?
The canonical SMILES for 5-methylundecan-6-ylbenzene is CCCCCC(c1ccccc1)C(C)CCCC.
What is the InChIKey of 5-methylundecan-6-ylbenzene?
The InChIKey is KVFIVBUGVCEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-6-9-15-18(16(3)12-7-5-2)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,4-7,9,12,15H2,1-3H3.
What are the key properties of 5-methylundecan-6-ylbenzene?
5-methylundecan-6-ylbenzene has a molecular weight of 246.44 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylundecan-6-ylbenzene is sourced from PubChem (CID 173025924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).