1-methoxypropane;methyl propyl carbonate

C9H20O4 — CID 159112216

IUPAC1-methoxypropane;methyl propyl carbonate
SMILESCCCOC.CCCOC(=O)OC
InChIInChI=1S/C5H10O3.C4H10O/c1-3-4-8-5(6)7-2;1-3-4-5-2/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyKEQGWZHHDPEOMB-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.22
Rot. Bonds4

About 1-methoxypropane;methyl propyl carbonate

1-methoxypropane;methyl propyl carbonate (PubChem CID 159112216) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-methoxypropane;methyl propyl carbonate.

Molecular Properties

Compound Name1-methoxypropane;methyl propyl carbonate
PubChem CID159112216
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-methoxypropane;methyl propyl carbonate
SMILESCCCOC.CCCOC(=O)OC
InChIInChI=1S/C5H10O3.C4H10O/c1-3-4-8-5(6)7-2;1-3-4-5-2/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyKEQGWZHHDPEOMB-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxypropane;methyl propyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carboxyoxyethyl hydrogen carbonate;dimethyl carbonate;dipropyl carbonate
CID 87109601
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
azane;methyl tetradecyl carbonate
CID 118914581
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
butyl 3-methoxypropyl carbonate
CID 87247582
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
1-methoxypropane;propane-1,1-diol
CID 174611080
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
dipropyl 2,3-dimethoxybutanedioate
CID 139989452
methyl propoxy carbonate
CID 150518798

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;methyl propyl carbonate?
The IUPAC name of 1-methoxypropane;methyl propyl carbonate (CID 159112216) is 1-methoxypropane;methyl propyl carbonate.
What is the SMILES notation for 1-methoxypropane;methyl propyl carbonate?
The canonical SMILES for 1-methoxypropane;methyl propyl carbonate is CCCOC.CCCOC(=O)OC.
What is the InChIKey of 1-methoxypropane;methyl propyl carbonate?
The InChIKey is KEQGWZHHDPEOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H10O/c1-3-4-8-5(6)7-2;1-3-4-5-2/h3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;methyl propyl carbonate?
1-methoxypropane;methyl propyl carbonate has a molecular weight of 192.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;methyl propyl carbonate is sourced from PubChem (CID 159112216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).