methyl propyl carbonate

C5H10O3 — CID 10129937

IUPACmethyl propyl carbonate
SMILESCCCOC(=O)OC
InChIInChI=1S/C5H10O3/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3
InChIKeyKKQAVHGECIBFRQ-UHFFFAOYSA-N
MW118.13 g/mol
LogP1.18
Rot. Bonds2

About methyl propyl carbonate

methyl propyl carbonate (PubChem CID 10129937) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methyl propyl carbonate.

Molecular Properties

Compound Namemethyl propyl carbonate
PubChem CID10129937
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethyl propyl carbonate
SMILESCCCOC(=O)OC
InChIInChI=1S/C5H10O3/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3
InChIKeyKKQAVHGECIBFRQ-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Diethyl Pyrocarbonate
CID 3051
Dipropyl Carbonate
CID 69344
Ethyl methyl carbonate
CID 522046
Dibutyl carbonate
CID 68333
Diisopropyl carbonate
CID 536818
tert-Butyl ethyl carbonate
CID 545840
Methyl isopropyl carbonate
CID 7021530
Carbonic acid, butyl ethyl ester
CID 61880
Carbonic acid, propyl ester
CID 37714
Butyl methyl carbonate
CID 15688890
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 propyl carbonate?
The IUPAC name of methyl propyl carbonate (CID 10129937) is methyl propyl carbonate.
What is the SMILES notation for methyl propyl carbonate?
The canonical SMILES for methyl propyl carbonate is CCCOC(=O)OC.
What is the InChIKey of methyl propyl carbonate?
The InChIKey is KKQAVHGECIBFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3.
What are the key properties of methyl propyl carbonate?
methyl propyl carbonate has a molecular weight of 118.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propyl carbonate is sourced from PubChem (CID 10129937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).