2-(methoxymethoxy)prop-2-enyl methyl carbonate

C7H12O5 — CID 10702414

IUPAC2-(methoxymethoxy)prop-2-enyl methyl carbonate
SMILESC=C(COC(=O)OC)OCOC
InChIInChI=1S/C7H12O5/c1-6(12-5-9-2)4-11-7(8)10-3/h1,4-5H2,2-3H3
InChIKeyDHAFISNFEWVLRW-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.90
Rot. Bonds5

About 2-(methoxymethoxy)prop-2-enyl methyl carbonate

2-(methoxymethoxy)prop-2-enyl methyl carbonate (PubChem CID 10702414) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(methoxymethoxy)prop-2-enyl methyl carbonate.

Molecular Properties

Compound Name2-(methoxymethoxy)prop-2-enyl methyl carbonate
PubChem CID10702414
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-(methoxymethoxy)prop-2-enyl methyl carbonate
SMILESC=C(COC(=O)OC)OCOC
InChIInChI=1S/C7H12O5/c1-6(12-5-9-2)4-11-7(8)10-3/h1,4-5H2,2-3H3
InChIKeyDHAFISNFEWVLRW-UHFFFAOYSA-N
XLogP0.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methoxymethoxy)prop-2-enyl methyl 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-(methoxymethoxy)prop-2-enyl acetate
CID 10511152
methyl (3-methyl-2-methylidenebutyl) carbonate
CID 15026489
2-(methoxymethoxy)but-1-ene
CID 13107534
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
iodooxymethyl methyl carbonate
CID 90378493
methyl 2-(methoxymethoxy)acetate
CID 11018922
methoxymethyl carbonochloridate
CID 21418650
methane;methoxymethyl 3-oxobutanoate
CID 158766940
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)prop-2-enyl methyl carbonate?
The IUPAC name of 2-(methoxymethoxy)prop-2-enyl methyl carbonate (CID 10702414) is 2-(methoxymethoxy)prop-2-enyl methyl carbonate.
What is the SMILES notation for 2-(methoxymethoxy)prop-2-enyl methyl carbonate?
The canonical SMILES for 2-(methoxymethoxy)prop-2-enyl methyl carbonate is C=C(COC(=O)OC)OCOC.
What is the InChIKey of 2-(methoxymethoxy)prop-2-enyl methyl carbonate?
The InChIKey is DHAFISNFEWVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-6(12-5-9-2)4-11-7(8)10-3/h1,4-5H2,2-3H3.
What are the key properties of 2-(methoxymethoxy)prop-2-enyl methyl carbonate?
2-(methoxymethoxy)prop-2-enyl methyl carbonate has a molecular weight of 176.17 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)prop-2-enyl methyl carbonate is sourced from PubChem (CID 10702414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).