methyl propoxy carbonate

C5H10O4 — CID 150518798

IUPACmethyl propoxy carbonate
SMILESCCCOOC(=O)OC
InChIInChI=1S/C5H10O4/c1-3-4-8-9-5(6)7-2/h3-4H2,1-2H3
InChIKeyIBJSAVATTJDJDA-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.11
Rot. Bonds3

About methyl propoxy carbonate

methyl propoxy carbonate (PubChem CID 150518798) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is methyl propoxy carbonate.

Molecular Properties

Compound Namemethyl propoxy carbonate
PubChem CID150518798
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Namemethyl propoxy carbonate
SMILESCCCOOC(=O)OC
InChIInChI=1S/C5H10O4/c1-3-4-8-9-5(6)7-2/h3-4H2,1-2H3
InChIKeyIBJSAVATTJDJDA-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

propyl ethaneperoxoate
CID 160583975
propyl 2-hydroxypropaneperoxoate
CID 91194019
1-methoxypropane;methyl propyl carbonate
CID 159112216
2-carboxyoxyethyl hydrogen carbonate;dimethyl carbonate;dipropyl carbonate
CID 87109601
bis(butylperoxy) carbonate
CID 87894849
propyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266062
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
propyl N-(dihydroxymethyl)carbamate
CID 174469306
propyl piperidine-1-carboperoxoate
CID 140533006
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749
dimethyl carbonate;ethane
CID 160632176
azane;methyl tetradecyl carbonate
CID 118914581

Frequently Asked Questions

What is the IUPAC name of methyl propoxy carbonate?
The IUPAC name of methyl propoxy carbonate (CID 150518798) is methyl propoxy carbonate.
What is the SMILES notation for methyl propoxy carbonate?
The canonical SMILES for methyl propoxy carbonate is CCCOOC(=O)OC.
What is the InChIKey of methyl propoxy carbonate?
The InChIKey is IBJSAVATTJDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-3-4-8-9-5(6)7-2/h3-4H2,1-2H3.
What are the key properties of methyl propoxy carbonate?
methyl propoxy carbonate has a molecular weight of 134.13 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propoxy carbonate is sourced from PubChem (CID 150518798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).