3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate

C13H26O3 — CID 134605657

IUPAC3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
SMILESCC(C)C(C)OC(=O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3/c1-9(2)10(3)15-11(14)16-13(7,8)12(4,5)6/h9-10H,1-8H3
InChIKeySTDGHGHDIXHIRG-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.01
Rot. Bonds3

About 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate

3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate (PubChem CID 134605657) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate.

Molecular Properties

Compound Name3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
PubChem CID134605657
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
SMILESCC(C)C(C)OC(=O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3/c1-9(2)10(3)15-11(14)16-13(7,8)12(4,5)6/h9-10H,1-8H3
InChIKeySTDGHGHDIXHIRG-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
CID 153381905
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
[(4Z,7Z)-8-methoxy-2-methylocta-4,7-dien-2-yl] 3-methylbutan-2-yl carbonate
CID 135224860
3-methylbutan-2-yl carbonochloridate
CID 12601448
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
2,3,3-trimethylbutan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123494424
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate?
The IUPAC name of 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate (CID 134605657) is 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate.
What is the SMILES notation for 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate?
The canonical SMILES for 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate is CC(C)C(C)OC(=O)OC(C)(C)C(C)(C)C.
What is the InChIKey of 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate?
The InChIKey is STDGHGHDIXHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-9(2)10(3)15-11(14)16-13(7,8)12(4,5)6/h9-10H,1-8H3.
What are the key properties of 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate?
3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate has a molecular weight of 230.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate is sourced from PubChem (CID 134605657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).