5-hydroxypent-2-ynyl methyl carbonate

C7H10O4 — CID 56650849

IUPAC5-hydroxypent-2-ynyl methyl carbonate
SMILESCOC(=O)OCC#CCCO
InChIInChI=1S/C7H10O4/c1-10-7(9)11-6-4-2-3-5-8/h8H,3,5-6H2,1H3
InChIKeyMCYXJDNWDLAJDV-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.16
Rot. Bonds2

About 5-hydroxypent-2-ynyl methyl carbonate

5-hydroxypent-2-ynyl methyl carbonate (PubChem CID 56650849) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 5-hydroxypent-2-ynyl methyl carbonate.

Molecular Properties

Compound Name5-hydroxypent-2-ynyl methyl carbonate
PubChem CID56650849
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name5-hydroxypent-2-ynyl methyl carbonate
SMILESCOC(=O)OCC#CCCO
InChIInChI=1S/C7H10O4/c1-10-7(9)11-6-4-2-3-5-8/h8H,3,5-6H2,1H3
InChIKeyMCYXJDNWDLAJDV-UHFFFAOYSA-N
XLogP0.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-2-ynyl methyl carbonate?
The IUPAC name of 5-hydroxypent-2-ynyl methyl carbonate (CID 56650849) is 5-hydroxypent-2-ynyl methyl carbonate.
What is the SMILES notation for 5-hydroxypent-2-ynyl methyl carbonate?
The canonical SMILES for 5-hydroxypent-2-ynyl methyl carbonate is COC(=O)OCC#CCCO.
What is the InChIKey of 5-hydroxypent-2-ynyl methyl carbonate?
The InChIKey is MCYXJDNWDLAJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-7(9)11-6-4-2-3-5-8/h8H,3,5-6H2,1H3.
What are the key properties of 5-hydroxypent-2-ynyl methyl carbonate?
5-hydroxypent-2-ynyl methyl carbonate has a molecular weight of 158.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-2-ynyl methyl carbonate is sourced from PubChem (CID 56650849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).