acetic acid;bis(prop-1-enyl) carbonate

C9H14O5 — CID 174787806

IUPACacetic acid;bis(prop-1-enyl) carbonate
SMILESCC(=O)O.CC=COC(=O)OC=CC
InChIInChI=1S/C7H10O3.C2H4O2/c1-3-5-9-7(8)10-6-4-2;1-2(3)4/h3-6H,1-2H3;1H3,(H,3,4)
InChIKeyPTOPHBNZBLYSOF-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.30
Rot. Bonds2

About acetic acid;bis(prop-1-enyl) carbonate

acetic acid;bis(prop-1-enyl) carbonate (PubChem CID 174787806) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is acetic acid;bis(prop-1-enyl) carbonate.

Molecular Properties

Compound Nameacetic acid;bis(prop-1-enyl) carbonate
PubChem CID174787806
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameacetic acid;bis(prop-1-enyl) carbonate
SMILESCC(=O)O.CC=COC(=O)OC=CC
InChIInChI=1S/C7H10O3.C2H4O2/c1-3-5-9-7(8)10-6-4-2;1-2(3)4/h3-6H,1-2H3;1H3,(H,3,4)
InChIKeyPTOPHBNZBLYSOF-UHFFFAOYSA-N
XLogP2.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
[(E)-prop-1-enyl] acetate
CID 637917
bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol
CID 174919373
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
methoxysilane;prop-1-enyl acetate
CID 174837390
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
acetic acid;ruthenium
CID 175502908
acetic acid;palladium
CID 58759193
acetic acid;prop-1-en-1-ol
CID 71354158
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
N-[(E)-prop-1-enoxy]acetamide
CID 163790570
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(prop-1-enyl) carbonate?
The IUPAC name of acetic acid;bis(prop-1-enyl) carbonate (CID 174787806) is acetic acid;bis(prop-1-enyl) carbonate.
What is the SMILES notation for acetic acid;bis(prop-1-enyl) carbonate?
The canonical SMILES for acetic acid;bis(prop-1-enyl) carbonate is CC(=O)O.CC=COC(=O)OC=CC.
What is the InChIKey of acetic acid;bis(prop-1-enyl) carbonate?
The InChIKey is PTOPHBNZBLYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C2H4O2/c1-3-5-9-7(8)10-6-4-2;1-2(3)4/h3-6H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;bis(prop-1-enyl) carbonate?
acetic acid;bis(prop-1-enyl) carbonate has a molecular weight of 202.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(prop-1-enyl) carbonate is sourced from PubChem (CID 174787806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).