2,2-dimethylpropyl acetate

C7H14O2 — CID 13552

IUPAC2,2-dimethylpropyl acetate
SMILESCC(=O)OCC(C)(C)C
InChIInChI=1S/C7H14O2/c1-6(8)9-5-7(2,3)4/h5H2,1-4H3
InChIKeyQLNYTCSELYEEPV-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.60
Rot. Bonds1

About 2,2-dimethylpropyl acetate

2,2-dimethylpropyl acetate (PubChem CID 13552) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,2-dimethylpropyl acetate.

Molecular Properties

Compound Name2,2-dimethylpropyl acetate
PubChem CID13552
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,2-dimethylpropyl acetate
SMILESCC(=O)OCC(C)(C)C
InChIInChI=1S/C7H14O2/c1-6(8)9-5-7(2,3)4/h5H2,1-4H3
InChIKeyQLNYTCSELYEEPV-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-carboxyoxy-2-methylpropyl) acetate
CID 151546232
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
2,2-dimethylpropyl carboniodidate
CID 71320370
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
(2-methyl-2-propylpentyl) acetate
CID 89417633
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
ethane;2,2,2-trichloroethyl acetate
CID 143703909
[2-(2-acetyloxy-2-methylpropoxy)-2-methylpropyl] acetate
CID 138481076
[3-(acetyloxymethoxy)-2,2-dimethylpropyl] acetate
CID 13356615

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl acetate?
The IUPAC name of 2,2-dimethylpropyl acetate (CID 13552) is 2,2-dimethylpropyl acetate.
What is the SMILES notation for 2,2-dimethylpropyl acetate?
The canonical SMILES for 2,2-dimethylpropyl acetate is CC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl acetate?
The InChIKey is QLNYTCSELYEEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(8)9-5-7(2,3)4/h5H2,1-4H3.
What are the key properties of 2,2-dimethylpropyl acetate?
2,2-dimethylpropyl acetate has a molecular weight of 130.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl acetate is sourced from PubChem (CID 13552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).