(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene

C28H36 — CID 158424284

IUPAC(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)Cc1ccccc1
InChIInChI=1S/C17H20.C11H16/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-11(2,3)9-10-7-5-4-6-8-10/h4-13,16H,1-3H3;4-8H,9H2,1-3H3
InChIKeyHAVZBZCZSBSMKJ-UHFFFAOYSA-N
MW372.60 g/mol
LogP8.14
Rot. Bonds3

About (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene

(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene (PubChem CID 158424284) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene.

Molecular Properties

Compound Name(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
PubChem CID158424284
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
SMILESCC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)Cc1ccccc1
InChIInChI=1S/C17H20.C11H16/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-11(2,3)9-10-7-5-4-6-8-10/h4-13,16H,1-3H3;4-8H,9H2,1-3H3
InChIKeyHAVZBZCZSBSMKJ-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
2,2-dimethylpropylbenzene;methanol
CID 157125736
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2-ethyl-2-methylbutyl)benzene
CID 123641908
(2,2-dimethyl-1-phenylpentan-3-yl)benzene
CID 90849457
(5-benzyl-5-methylheptan-3-yl)benzene
CID 91404994
1,1,2,3,3,4-hexakis-phenylbutan-2-ylbenzene
CID 123189622
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
CID 134551069
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291
chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
CID 158684200

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene?
The IUPAC name of (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene (CID 158424284) is (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene.
What is the SMILES notation for (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene?
The canonical SMILES for (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene is CC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)Cc1ccccc1.
What is the InChIKey of (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene?
The InChIKey is HAVZBZCZSBSMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C11H16/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-11(2,3)9-10-7-5-4-6-8-10/h4-13,16H,1-3H3;4-8H,9H2,1-3H3.
What are the key properties of (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene?
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene has a molecular weight of 372.60 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene is sourced from PubChem (CID 158424284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).