2-hydroxybut-3-ynyl prop-2-enyl carbonate

C8H10O4 — CID 6612771

IUPAC2-hydroxybut-3-ynyl prop-2-enyl carbonate
SMILESC#CC(O)COC(=O)OCC=C
InChIInChI=1S/C8H10O4/c1-3-5-11-8(10)12-6-7(9)4-2/h2-3,7,9H,1,5-6H2
InChIKeyKFFTZMFLECXNGR-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.32
Rot. Bonds4

About 2-hydroxybut-3-ynyl prop-2-enyl carbonate

2-hydroxybut-3-ynyl prop-2-enyl carbonate (PubChem CID 6612771) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-hydroxybut-3-ynyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-hydroxybut-3-ynyl prop-2-enyl carbonate
PubChem CID6612771
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-hydroxybut-3-ynyl prop-2-enyl carbonate
SMILESC#CC(O)COC(=O)OCC=C
InChIInChI=1S/C8H10O4/c1-3-5-11-8(10)12-6-7(9)4-2/h2-3,7,9H,1,5-6H2
InChIKeyKFFTZMFLECXNGR-UHFFFAOYSA-N
XLogP0.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl prop-2-enyl carbonate
CID 6420250
bis(prop-2-enyl) carbonate;ethene
CID 87465968
but-3-yn-2-yl prop-2-enyl carbonate
CID 100927907
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
2-methylbut-3-yn-2-yl prop-2-enyl carbonate
CID 23169803
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
iodo prop-2-enyl carbonate
CID 87691823
CID 140777128
CID 140777128
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybut-3-ynyl prop-2-enyl carbonate?
The IUPAC name of 2-hydroxybut-3-ynyl prop-2-enyl carbonate (CID 6612771) is 2-hydroxybut-3-ynyl prop-2-enyl carbonate.
What is the SMILES notation for 2-hydroxybut-3-ynyl prop-2-enyl carbonate?
The canonical SMILES for 2-hydroxybut-3-ynyl prop-2-enyl carbonate is C#CC(O)COC(=O)OCC=C.
What is the InChIKey of 2-hydroxybut-3-ynyl prop-2-enyl carbonate?
The InChIKey is KFFTZMFLECXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-5-11-8(10)12-6-7(9)4-2/h2-3,7,9H,1,5-6H2.
What are the key properties of 2-hydroxybut-3-ynyl prop-2-enyl carbonate?
2-hydroxybut-3-ynyl prop-2-enyl carbonate has a molecular weight of 170.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybut-3-ynyl prop-2-enyl carbonate is sourced from PubChem (CID 6612771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).