2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate

C9H16O5 — CID 15120453

IUPAC2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate
SMILESC=C(COC(=O)OC(C)C)OCOC
InChIInChI=1S/C9H16O5/c1-7(2)14-9(10)12-5-8(3)13-6-11-4/h7H,3,5-6H2,1-2,4H3
InChIKeyZGBFOXVPNQKYEH-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.68
Rot. Bonds6

About 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate

2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate (PubChem CID 15120453) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate.

Molecular Properties

Compound Name2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate
PubChem CID15120453
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate
SMILESC=C(COC(=O)OC(C)C)OCOC
InChIInChI=1S/C9H16O5/c1-7(2)14-9(10)12-5-8(3)13-6-11-4/h7H,3,5-6H2,1-2,4H3
InChIKeyZGBFOXVPNQKYEH-UHFFFAOYSA-N
XLogP1.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.68
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'}

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Related Compounds

3-Ethoxycarbonyloxyprop-1-en-2-yl acetate
CID 13700884
5-Methylene-2,4,7,9-tetraoxadecane
CID 91692291
2-(Methoxymethoxy)prop-2-enyl acetate
CID 10511152
1-Prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate
CID 18458469
2-(Ethoxymethoxy)-3-methoxybut-1-ene
CID 20770083
3-(Methoxymethoxy)but-3-en-2-yl acetate
CID 20770089
2-[2-(Prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
CID 21053366
1,3-Bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate
CID 21053380
2-Methoxypropyl prop-2-enyl carbonate
CID 21831750
3-(1-Methoxyethoxy)-2-[3-(1-methoxyethoxy)but-1-en-2-yloxy]but-1-ene
CID 21965166
1-(1-Prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate
CID 22564530
2-(Butan-2-yloxymethoxy)prop-2-enyl acetate
CID 59253891

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate?
The IUPAC name of 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate (CID 15120453) is 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate.
What is the SMILES notation for 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate?
The canonical SMILES for 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate is C=C(COC(=O)OC(C)C)OCOC.
What is the InChIKey of 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate?
The InChIKey is ZGBFOXVPNQKYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-7(2)14-9(10)12-5-8(3)13-6-11-4/h7H,3,5-6H2,1-2,4H3.
What are the key properties of 2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate?
2-(methoxymethoxy)prop-2-enyl propan-2-yl carbonate has a molecular weight of 204.22 g/mol, XLogP of 1.68, 6 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 propan-2-yl carbonate is sourced from PubChem (CID 15120453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).