(2-methyl-6-phenylhexan-2-yl)benzene

C19H24 — CID 57113008

IUPAC(2-methyl-6-phenylhexan-2-yl)benzene
SMILESCC(C)(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24/c1-19(2,18-14-7-4-8-15-18)16-10-9-13-17-11-5-3-6-12-17/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKeyWRSMHRDPGADQDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.38
Rot. Bonds6

About (2-methyl-6-phenylhexan-2-yl)benzene

(2-methyl-6-phenylhexan-2-yl)benzene (PubChem CID 57113008) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2-methyl-6-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name(2-methyl-6-phenylhexan-2-yl)benzene
PubChem CID57113008
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(2-methyl-6-phenylhexan-2-yl)benzene
SMILESCC(C)(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24/c1-19(2,18-14-7-4-8-15-18)16-10-9-13-17-11-5-3-6-12-17/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKeyWRSMHRDPGADQDY-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.38
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

4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
CID 117067741
27,27-dimethyloctacosylbenzene
CID 140589361
2-methyl-6-phenylhexan-2-ol
CID 12716611
1,5-diphenylpentane-1,1-diol
CID 67670316
4-phenylbutylbenzene
CID 141301927
[2-methyl-7-(6-methyl-6-phenylheptyl)sulfanylheptan-2-yl]benzene
CID 143079939
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2-ethoxy-6-phenylhexan-2-ol
CID 140824356
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636
2-tert-butyl-2-(5-phenylpentyl)propanedioic acid
CID 139782915

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylhexan-2-yl)benzene?
The IUPAC name of (2-methyl-6-phenylhexan-2-yl)benzene (CID 57113008) is (2-methyl-6-phenylhexan-2-yl)benzene.
What is the SMILES notation for (2-methyl-6-phenylhexan-2-yl)benzene?
The canonical SMILES for (2-methyl-6-phenylhexan-2-yl)benzene is CC(C)(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-6-phenylhexan-2-yl)benzene?
The InChIKey is WRSMHRDPGADQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-19(2,18-14-7-4-8-15-18)16-10-9-13-17-11-5-3-6-12-17/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3.
What are the key properties of (2-methyl-6-phenylhexan-2-yl)benzene?
(2-methyl-6-phenylhexan-2-yl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenylhexan-2-yl)benzene is sourced from PubChem (CID 57113008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).