2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate

C10H14O6 — CID 88550156

IUPAC2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
SMILESC#CCOC(=O)OC(C)C(=O)OCCOC
InChIInChI=1S/C10H14O6/c1-4-5-15-10(12)16-8(2)9(11)14-7-6-13-3/h1,8H,5-7H2,2-3H3
InChIKeyBNXHMAXSYMWWJD-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.35
Rot. Bonds6

About 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate

2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate (PubChem CID 88550156) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
PubChem CID88550156
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
SMILESC#CCOC(=O)OC(C)C(=O)OCCOC
InChIInChI=1S/C10H14O6/c1-4-5-15-10(12)16-8(2)9(11)14-7-6-13-3/h1,8H,5-7H2,2-3H3
InChIKeyBNXHMAXSYMWWJD-UHFFFAOYSA-N
XLogP0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
CID 88616849
prop-2-ynyl 2-methoxycarbonyloxypropanoate
CID 88549091
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
bis(prop-2-ynyl) 2-methoxypropanedioate
CID 88550340
2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 19937714
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
bis(prop-2-ynyl) carbonate;butane-1,4-diol
CID 118455837
methyl 2-methyl-2-prop-2-ynoxycarbonyloxypropanoate
CID 88550304
hexyl prop-2-ynyl carbonate
CID 22074798

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate?
The IUPAC name of 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate (CID 88550156) is 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate.
What is the SMILES notation for 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate?
The canonical SMILES for 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate is C#CCOC(=O)OC(C)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate?
The InChIKey is BNXHMAXSYMWWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-4-5-15-10(12)16-8(2)9(11)14-7-6-13-3/h1,8H,5-7H2,2-3H3.
What are the key properties of 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate?
2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate has a molecular weight of 230.22 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate is sourced from PubChem (CID 88550156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).