(2,2-diethyl-3,3-dimethylbutyl) acetate

C12H24O2 — CID 21363584

IUPAC(2,2-diethyl-3,3-dimethylbutyl) acetate
SMILESCCC(CC)(COC(C)=O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)9-14-10(3)13/h7-9H2,1-6H3
InChIKeyDDUJVXAOGFQYTK-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.40
Rot. Bonds4

About (2,2-diethyl-3,3-dimethylbutyl) acetate

(2,2-diethyl-3,3-dimethylbutyl) acetate (PubChem CID 21363584) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2,2-diethyl-3,3-dimethylbutyl) acetate.

Molecular Properties

Compound Name(2,2-diethyl-3,3-dimethylbutyl) acetate
PubChem CID21363584
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2,2-diethyl-3,3-dimethylbutyl) acetate
SMILESCCC(CC)(COC(C)=O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)9-14-10(3)13/h7-9H2,1-6H3
InChIKeyDDUJVXAOGFQYTK-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2-tellanylbutyl) acetate
CID 175046736
2,2-dimethylpropyl acetate
CID 13552
2,2-difluorobutyl acetate
CID 58275605
(2-ethyl-2-methylhexyl) acetate
CID 90020501
ethane;2,2,2-trichloroethyl acetate
CID 143703909
(2-methyl-2-propylpentyl) acetate
CID 89417633
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
(2-ethyl-2-methylsulfanylbutyl) acetate
CID 142287040
(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
[2-(acetyloxymethyl)-2-ethylbutyl] 2-methyl-2-sulfanylpropanoate
CID 59676553
(2,2-diethyl-3,3-dimethylbutoxy)silane
CID 123841304

Frequently Asked Questions

What is the IUPAC name of (2,2-diethyl-3,3-dimethylbutyl) acetate?
The IUPAC name of (2,2-diethyl-3,3-dimethylbutyl) acetate (CID 21363584) is (2,2-diethyl-3,3-dimethylbutyl) acetate.
What is the SMILES notation for (2,2-diethyl-3,3-dimethylbutyl) acetate?
The canonical SMILES for (2,2-diethyl-3,3-dimethylbutyl) acetate is CCC(CC)(COC(C)=O)C(C)(C)C.
What is the InChIKey of (2,2-diethyl-3,3-dimethylbutyl) acetate?
The InChIKey is DDUJVXAOGFQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)9-14-10(3)13/h7-9H2,1-6H3.
What are the key properties of (2,2-diethyl-3,3-dimethylbutyl) acetate?
(2,2-diethyl-3,3-dimethylbutyl) acetate has a molecular weight of 200.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethyl-3,3-dimethylbutyl) acetate is sourced from PubChem (CID 21363584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).