2,2-dimethylpropylbenzene;methanol

C12H20O — CID 157125736

IUPAC2,2-dimethylpropylbenzene;methanol
SMILESCC(C)(C)Cc1ccccc1.CO
InChIInChI=1S/C11H16.CH4O/c1-11(2,3)9-10-7-5-4-6-8-10;1-2/h4-8H,9H2,1-3H3;2H,1H3
InChIKeyAIMGOLVOJKEJKZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds1

About 2,2-dimethylpropylbenzene;methanol

2,2-dimethylpropylbenzene;methanol (PubChem CID 157125736) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;methanol.

Molecular Properties

Compound Name2,2-dimethylpropylbenzene;methanol
PubChem CID157125736
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,2-dimethylpropylbenzene;methanol
SMILESCC(C)(C)Cc1ccccc1.CO
InChIInChI=1S/C11H16.CH4O/c1-11(2,3)9-10-7-5-4-6-8-10;1-2/h4-8H,9H2,1-3H3;2H,1H3
InChIKeyAIMGOLVOJKEJKZ-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
tert-butyl 2,2-dimethylpropanoate;2,2-dimethylpropylbenzene;methane
CID 158149766
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
CID 134551069
chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
CID 158684200
(2-fluoro-2-methylpropyl)benzene
CID 14343442
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685
2-chloro-4-oxo-3-sulfanylbut-2-enoic acid;2,2-dimethylpropylbenzene
CID 173407264

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;methanol?
The IUPAC name of 2,2-dimethylpropylbenzene;methanol (CID 157125736) is 2,2-dimethylpropylbenzene;methanol.
What is the SMILES notation for 2,2-dimethylpropylbenzene;methanol?
The canonical SMILES for 2,2-dimethylpropylbenzene;methanol is CC(C)(C)Cc1ccccc1.CO.
What is the InChIKey of 2,2-dimethylpropylbenzene;methanol?
The InChIKey is AIMGOLVOJKEJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH4O/c1-11(2,3)9-10-7-5-4-6-8-10;1-2/h4-8H,9H2,1-3H3;2H,1H3.
What are the key properties of 2,2-dimethylpropylbenzene;methanol?
2,2-dimethylpropylbenzene;methanol has a molecular weight of 180.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylbenzene;methanol is sourced from PubChem (CID 157125736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).