(2,2-dimethyl-1-phenylpentan-3-yl)benzene

C19H24 — CID 90849457

IUPAC(2,2-dimethyl-1-phenylpentan-3-yl)benzene
SMILESCCC(c1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C19H24/c1-4-18(17-13-9-6-10-14-17)19(2,3)15-16-11-7-5-8-12-16/h5-14,18H,4,15H2,1-3H3
InChIKeyYICUVTHFSXBWEZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.45
Rot. Bonds5

About (2,2-dimethyl-1-phenylpentan-3-yl)benzene

(2,2-dimethyl-1-phenylpentan-3-yl)benzene (PubChem CID 90849457) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2,2-dimethyl-1-phenylpentan-3-yl)benzene.

Molecular Properties

Compound Name(2,2-dimethyl-1-phenylpentan-3-yl)benzene
PubChem CID90849457
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(2,2-dimethyl-1-phenylpentan-3-yl)benzene
SMILESCCC(c1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C19H24/c1-4-18(17-13-9-6-10-14-17)19(2,3)15-16-11-7-5-8-12-16/h5-14,18H,4,15H2,1-3H3
InChIKeyYICUVTHFSXBWEZ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,2-dimethyl-1-phenylheptan-3-yl)benzene
CID 173376871
(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
CID 139239654
[6-(dimethoxymethyl)-4,4,7,7-tetramethyloctan-3-yl]benzene
CID 163872715
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291
(5-benzyl-5-methylheptan-3-yl)benzene
CID 91404994
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
1,1,2-triphenylbutylphosphane
CID 19027387
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
8-(1-phenylpropyl)pentadecan-8-ol
CID 134906373
(2-methoxy-2-methylpropyl)benzene
CID 3842751

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-phenylpentan-3-yl)benzene?
The IUPAC name of (2,2-dimethyl-1-phenylpentan-3-yl)benzene (CID 90849457) is (2,2-dimethyl-1-phenylpentan-3-yl)benzene.
What is the SMILES notation for (2,2-dimethyl-1-phenylpentan-3-yl)benzene?
The canonical SMILES for (2,2-dimethyl-1-phenylpentan-3-yl)benzene is CCC(c1ccccc1)C(C)(C)Cc1ccccc1.
What is the InChIKey of (2,2-dimethyl-1-phenylpentan-3-yl)benzene?
The InChIKey is YICUVTHFSXBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-4-18(17-13-9-6-10-14-17)19(2,3)15-16-11-7-5-8-12-16/h5-14,18H,4,15H2,1-3H3.
What are the key properties of (2,2-dimethyl-1-phenylpentan-3-yl)benzene?
(2,2-dimethyl-1-phenylpentan-3-yl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-phenylpentan-3-yl)benzene is sourced from PubChem (CID 90849457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).