(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

Biphenyl
CID 7095
P-Cymene
CID 7463
Cumene
CID 7406
Pentylbenzene
CID 10864
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390
Isobutylbenzene
CID 10870
p-Terphenyl
CID 7115
trans-Stilbene
CID 638088
4-Methylbiphenyl
CID 12566
M-Cymene
CID 10812

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).