prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate

C10H12O5 — CID 134599693

IUPACprop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate
SMILESC#CCOC(=O)C1OC(=O)OC1CCC
InChIInChI=1S/C10H12O5/c1-3-5-7-8(15-10(12)14-7)9(11)13-6-4-2/h2,7-8H,3,5-6H2,1H3
InChIKeyKKJRPSIFBQMRSS-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.87
Rot. Bonds4

About prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate

prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate (PubChem CID 134599693) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate
PubChem CID134599693
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameprop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate
SMILESC#CCOC(=O)C1OC(=O)OC1CCC
InChIInChI=1S/C10H12O5/c1-3-5-7-8(15-10(12)14-7)9(11)13-6-4-2/h2,7-8H,3,5-6H2,1H3
InChIKeyKKJRPSIFBQMRSS-UHFFFAOYSA-N
XLogP0.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 21789934
methyl (4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11159704
(4R,5S)-5-but-3-ynyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 46184744
ethyl (4R,5S)-5-but-3-ynyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 135039805
ethyl (4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 162400717
Lgcoazfvzucyot-rqjhmyqmsa-
CID 50936980
Methyl 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 12779537
Ethyl 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 13659539
ethyl (4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 13659541
Hexyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 18716578
6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 23379028
(6S,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 58320981

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate (CID 134599693) is prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate is C#CCOC(=O)C1OC(=O)OC1CCC.
What is the InChIKey of prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate?
The InChIKey is KKJRPSIFBQMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-5-7-8(15-10(12)14-7)9(11)13-6-4-2/h2,7-8H,3,5-6H2,1H3.
What are the key properties of prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate?
prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-oxo-5-propyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).