prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate

C8H10O5 — CID 88616849

IUPACprop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
SMILESC#CCOC(=O)[C@@H](C)OC(=O)OC
InChIInChI=1S/C8H10O5/c1-4-5-12-7(9)6(2)13-8(10)11-3/h1,6H,5H2,2-3H3/t6-/m1/s1
InChIKeyBBVCJZWGQPEWKS-ZCFIWIBFSA-N
MW186.16 g/mol
LogP0.33
Rot. Bonds3

About prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate

prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate (PubChem CID 88616849) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate.

Molecular Properties

Compound Nameprop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
PubChem CID88616849
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nameprop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
SMILESC#CCOC(=O)[C@@H](C)OC(=O)OC
InChIInChI=1S/C8H10O5/c1-4-5-12-7(9)6(2)13-8(10)11-3/h1,6H,5H2,2-3H3/t6-/m1/s1
InChIKeyBBVCJZWGQPEWKS-ZCFIWIBFSA-N
XLogP0.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate 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

prop-2-ynyl 2-methoxycarbonyloxypropanoate
CID 88549091
2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
CID 88550156
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
bis(prop-2-ynyl) 2-methoxypropanedioate
CID 88550340
prop-2-ynyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 87164719
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
prop-2-ynyl 2-acetamidoacetate
CID 131210561
4-O-methyl 1-O-prop-2-ynyl 2-acetylbutanedioate
CID 10751006
1-O-propan-2-yl 5-O-prop-2-ynyl 2,3,3,4-tetramethylpentanedioate
CID 134419587
methyl 2-methyl-2-prop-2-ynoxycarbonyloxypropanoate
CID 88550304
prop-2-ynyl 2-chlorobutanoate
CID 527679
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate?
The IUPAC name of prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate (CID 88616849) is prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate.
What is the SMILES notation for prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate?
The canonical SMILES for prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate is C#CCOC(=O)[C@@H](C)OC(=O)OC.
What is the InChIKey of prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate?
The InChIKey is BBVCJZWGQPEWKS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-5-12-7(9)6(2)13-8(10)11-3/h1,6H,5H2,2-3H3/t6-/m1/s1.
What are the key properties of prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate?
prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate has a molecular weight of 186.16 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate is sourced from PubChem (CID 88616849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).