2,2-dimethylpropyl 2-methylbutyl carbonate

C11H22O3 — CID 91695775

IUPAC2,2-dimethylpropyl 2-methylbutyl carbonate
SMILESCCC(C)COC(=O)OCC(C)(C)C
InChIInChI=1S/C11H22O3/c1-6-9(2)7-13-10(12)14-8-11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyIKKODPQKWFYDAB-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.23
Rot. Bonds4

About 2,2-dimethylpropyl 2-methylbutyl carbonate

2,2-dimethylpropyl 2-methylbutyl carbonate (PubChem CID 91695775) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-methylbutyl carbonate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-methylbutyl carbonate
PubChem CID91695775
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,2-dimethylpropyl 2-methylbutyl carbonate
SMILESCCC(C)COC(=O)OCC(C)(C)C
InChIInChI=1S/C11H22O3/c1-6-9(2)7-13-10(12)14-8-11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyIKKODPQKWFYDAB-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
CID 177115561
2,2-dimethylpropyl iodomethyl carbonate
CID 23449228
(2S)-2-amino-3-[3,4-bis(2-methylbutoxycarbonyloxy)phenyl]-5-(2,2-dimethylpropoxycarbonyloxy)-4-methylpentanoic acid
CID 66947265
[(2S)-1-(2,2-dimethylpropoxycarbonyloxy)propan-2-yl] (2S)-2-amino-3-[3,4-bis(2-methylbutoxycarbonyloxy)phenyl]propanoate
CID 66947258
bis(2-methylbutyl) 3,3-dimethylpentanedioate
CID 90282141
2-methylbutyl acetate
CID 90958828
2-methylbutyl 2-aminooxypropanoate
CID 178072336
methane;2-methylbutyl acetate
CID 160631044
[4-[(2S)-2-amino-3-[(2S)-1-(2,2-dimethylpropoxycarbonyloxy)propan-2-yl]oxy-3-oxopropyl]-2-(3-methylpentanoyloxy)phenyl] 3-methylpentanoate
CID 66943832
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
2-chloroethyl 2,2-dimethylpropyl carbonate
CID 91693115

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-methylbutyl carbonate?
The IUPAC name of 2,2-dimethylpropyl 2-methylbutyl carbonate (CID 91695775) is 2,2-dimethylpropyl 2-methylbutyl carbonate.
What is the SMILES notation for 2,2-dimethylpropyl 2-methylbutyl carbonate?
The canonical SMILES for 2,2-dimethylpropyl 2-methylbutyl carbonate is CCC(C)COC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-methylbutyl carbonate?
The InChIKey is IKKODPQKWFYDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-9(2)7-13-10(12)14-8-11(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethylpropyl 2-methylbutyl carbonate?
2,2-dimethylpropyl 2-methylbutyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-methylbutyl carbonate is sourced from PubChem (CID 91695775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).