methyl 2-methylpropyl carbonate

C6H12O3 — CID 22556363

IUPACmethyl 2-methylpropyl carbonate
SMILESCOC(=O)OCC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3
InChIKeyPDOXCFPUGNQQSW-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-methylpropyl carbonate

methyl 2-methylpropyl carbonate (PubChem CID 22556363) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Namemethyl 2-methylpropyl carbonate
PubChem CID22556363
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl 2-methylpropyl carbonate
SMILESCOC(=O)OCC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3
InChIKeyPDOXCFPUGNQQSW-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Ethyl methyl carbonate
CID 522046
Dipropyl Carbonate
CID 69344
Carbonic acid, bis(2-methylpropyl) ester
CID 68321
Methyl Propyl carbonate
CID 10129937
tert-Butyl ethyl carbonate
CID 545840
Carbonic acid, butyl ethyl ester
CID 61880
Diisopentyl carbonate
CID 74913
Butyl methyl carbonate
CID 15688890
Carbonic acid, ethyl propyl ester
CID 6420966
Bis((~13~C_2_)ethyl) (~13~C)carbonate
CID 71309515
Ethan-d5-ol, carbonate (2:1) (9CI); Carbonic acid di(ethyl-d5) ester; Carbonic acid diethyl ester-d10; Diethyl carbonate-d10; Ethyl carbonate-d10; Diethyl-d10 Carbonate
CID 117064671

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpropyl carbonate?
The IUPAC name of methyl 2-methylpropyl carbonate (CID 22556363) is methyl 2-methylpropyl carbonate.
What is the SMILES notation for methyl 2-methylpropyl carbonate?
The canonical SMILES for methyl 2-methylpropyl carbonate is COC(=O)OCC(C)C.
What is the InChIKey of methyl 2-methylpropyl carbonate?
The InChIKey is PDOXCFPUGNQQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-methylpropyl carbonate?
methyl 2-methylpropyl carbonate has a molecular weight of 132.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpropyl carbonate is sourced from PubChem (CID 22556363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).