bis(2-hydroxyprop-1-enyl) carbonate

C7H10O5 — CID 173209007

IUPACbis(2-hydroxyprop-1-enyl) carbonate
SMILESCC(O)=COC(=O)OC=C(C)O
InChIInChI=1S/C7H10O5/c1-5(8)3-11-7(10)12-4-6(2)9/h3-4,8-9H,1-2H3
InChIKeyQGFLDRAUVJPWGM-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.98
Rot. Bonds2

About bis(2-hydroxyprop-1-enyl) carbonate

bis(2-hydroxyprop-1-enyl) carbonate (PubChem CID 173209007) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is bis(2-hydroxyprop-1-enyl) carbonate.

Molecular Properties

Compound Namebis(2-hydroxyprop-1-enyl) carbonate
PubChem CID173209007
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namebis(2-hydroxyprop-1-enyl) carbonate
SMILESCC(O)=COC(=O)OC=C(C)O
InChIInChI=1S/C7H10O5/c1-5(8)3-11-7(10)12-4-6(2)9/h3-4,8-9H,1-2H3
InChIKeyQGFLDRAUVJPWGM-UHFFFAOYSA-N
XLogP1.98
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
acetic acid;ruthenium
CID 175502908
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
acetic acid;gallane;tetrahydrate
CID 175605130
acetic acid
CID 158444727
N-[(Z)-2-hydroxyprop-1-enyl]acetamide
CID 154518387
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
but-2-en-2-ol;urea
CID 173334764
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
methyl 3-hydroxybut-2-enoate
CID 54691070
tetrakis(4-hydroxypent-3-en-2-one);thorium
CID 50912505

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyprop-1-enyl) carbonate?
The IUPAC name of bis(2-hydroxyprop-1-enyl) carbonate (CID 173209007) is bis(2-hydroxyprop-1-enyl) carbonate.
What is the SMILES notation for bis(2-hydroxyprop-1-enyl) carbonate?
The canonical SMILES for bis(2-hydroxyprop-1-enyl) carbonate is CC(O)=COC(=O)OC=C(C)O.
What is the InChIKey of bis(2-hydroxyprop-1-enyl) carbonate?
The InChIKey is QGFLDRAUVJPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-5(8)3-11-7(10)12-4-6(2)9/h3-4,8-9H,1-2H3.
What are the key properties of bis(2-hydroxyprop-1-enyl) carbonate?
bis(2-hydroxyprop-1-enyl) carbonate has a molecular weight of 174.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyprop-1-enyl) carbonate is sourced from PubChem (CID 173209007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).