1-prop-2-enoxypropyl acetate

C8H14O3 — CID 142726831

IUPAC1-prop-2-enoxypropyl acetate
SMILESC=CCOC(CC)OC(C)=O
InChIInChI=1S/C8H14O3/c1-4-6-10-8(5-2)11-7(3)9/h4,8H,1,5-6H2,2-3H3
InChIKeyYSLYPRWVOUYSMJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.49
Rot. Bonds5

About 1-prop-2-enoxypropyl acetate

1-prop-2-enoxypropyl acetate (PubChem CID 142726831) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-prop-2-enoxypropyl acetate.

Molecular Properties

Compound Name1-prop-2-enoxypropyl acetate
PubChem CID142726831
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-prop-2-enoxypropyl acetate
SMILESC=CCOC(CC)OC(C)=O
InChIInChI=1S/C8H14O3/c1-4-6-10-8(5-2)11-7(3)9/h4,8H,1,5-6H2,2-3H3
InChIKeyYSLYPRWVOUYSMJ-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-pent-1-en-3-yl] acetate
CID 92859949
1-methoxypropyl acetate;pentan-3-one
CID 87792857
1-acetyloxypropyl propanoate
CID 141272286
1-acetyloxyhex-5-enyl acetate
CID 15000176
butan-2-yl acetate;prop-2-enoic acid
CID 167635036
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 525169
(1-prop-2-enoxy-3-sulfanylpropan-2-yl) acetate
CID 122381488
4-prop-2-enoxybutan-2-yl acetate
CID 174472917
1-silylpropyl acetate
CID 173180610
1-hydroxypropyl acetate
CID 21275092
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypropyl acetate?
The IUPAC name of 1-prop-2-enoxypropyl acetate (CID 142726831) is 1-prop-2-enoxypropyl acetate.
What is the SMILES notation for 1-prop-2-enoxypropyl acetate?
The canonical SMILES for 1-prop-2-enoxypropyl acetate is C=CCOC(CC)OC(C)=O.
What is the InChIKey of 1-prop-2-enoxypropyl acetate?
The InChIKey is YSLYPRWVOUYSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-10-8(5-2)11-7(3)9/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 1-prop-2-enoxypropyl acetate?
1-prop-2-enoxypropyl acetate has a molecular weight of 158.20 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypropyl acetate is sourced from PubChem (CID 142726831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).