tert-butyl 3-methylpentan-2-yl carbonate

C11H22O3 — CID 129191727

IUPACtert-butyl 3-methylpentan-2-yl carbonate
SMILESCCC(C)C(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-7-8(2)9(3)13-10(12)14-11(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZCCYTBKDUGTIQR-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl 3-methylpentan-2-yl carbonate

tert-butyl 3-methylpentan-2-yl carbonate (PubChem CID 129191727) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is tert-butyl 3-methylpentan-2-yl carbonate.

Molecular Properties

Compound Nametert-butyl 3-methylpentan-2-yl carbonate
PubChem CID129191727
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nametert-butyl 3-methylpentan-2-yl carbonate
SMILESCCC(C)C(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-7-8(2)9(3)13-10(12)14-11(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZCCYTBKDUGTIQR-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
tert-butyl pentan-3-yl carbonate
CID 88907075
3-methylpentan-2-yl pentan-3-yl carbonate
CID 139479446
tert-butyl nonadecan-10-yl carbonate
CID 176728212
tert-butyl [(1R,2S,3S)-1-methoxy-3-methyl-2-[methyl(methylaminomethyl)amino]pentyl] carbonate
CID 135297171
1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl formate
CID 19964872
2-ethyl-2-(3-methylpentan-2-yloxycarbonyl)butanoic acid
CID 57151301
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
tert-butyl (3S)-4-hydroxy-3-methylhexanoate
CID 59153209
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
3-aminopentyl tert-butyl carbonate
CID 174407601
tert-butyl [ethyl(propan-2-yl)amino] carbonate
CID 123302380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylpentan-2-yl carbonate?
The IUPAC name of tert-butyl 3-methylpentan-2-yl carbonate (CID 129191727) is tert-butyl 3-methylpentan-2-yl carbonate.
What is the SMILES notation for tert-butyl 3-methylpentan-2-yl carbonate?
The canonical SMILES for tert-butyl 3-methylpentan-2-yl carbonate is CCC(C)C(C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methylpentan-2-yl carbonate?
The InChIKey is ZCCYTBKDUGTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-7-8(2)9(3)13-10(12)14-11(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of tert-butyl 3-methylpentan-2-yl carbonate?
tert-butyl 3-methylpentan-2-yl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylpentan-2-yl carbonate is sourced from PubChem (CID 129191727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).