(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate

C8H14O3 — CID 176895749

IUPAC(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
SMILESC/C=C/O.C/C=C/OC(C)=O
InChIInChI=1S/C5H8O2.C3H6O/c1-3-4-7-5(2)6;1-2-3-4/h3-4H,1-2H3;2-4H,1H3/b4-3+;3-2+
InChIKeyNHFKPVNMFHMHIF-VWJMYZPHSA-N
MW158.20 g/mol
LogP2.16
Rot. Bonds1

About (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate

(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate (PubChem CID 176895749) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate.

Molecular Properties

Compound Name(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
PubChem CID176895749
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
SMILESC/C=C/O.C/C=C/OC(C)=O
InChIInChI=1S/C5H8O2.C3H6O/c1-3-4-7-5(2)6;1-2-3-4/h3-4H,1-2H3;2-4H,1H3/b4-3+;3-2+
InChIKeyNHFKPVNMFHMHIF-VWJMYZPHSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-prop-1-enyl] acetate
CID 637917
methoxysilane;prop-1-enyl acetate
CID 174837390
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
acetic acid;prop-1-en-1-ol
CID 71354158
prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
CID 174796957
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
(E)-prop-1-en-1-ol;urea
CID 87083567
3-methylsulfanylprop-1-enyl acetate
CID 54439354
2-chloroethenyl acetate;ethene
CID 175726418
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
[(E)-prop-1-enyl] 2-sulfanylacetate
CID 87590908

Frequently Asked Questions

What is the IUPAC name of (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate?
The IUPAC name of (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate (CID 176895749) is (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate.
What is the SMILES notation for (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate?
The canonical SMILES for (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate is C/C=C/O.C/C=C/OC(C)=O.
What is the InChIKey of (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate?
The InChIKey is NHFKPVNMFHMHIF-VWJMYZPHSA-N. The full InChI is InChI=1S/C5H8O2.C3H6O/c1-3-4-7-5(2)6;1-2-3-4/h3-4H,1-2H3;2-4H,1H3/b4-3+;3-2+.
What are the key properties of (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate?
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate has a molecular weight of 158.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate is sourced from PubChem (CID 176895749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).