prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate

C11H18O3 — CID 87470273

IUPACprop-2-enyl 2-[(Z)-hex-3-enoxy]acetate
SMILESC=CCOC(=O)COCC/C=C\CC
InChIInChI=1S/C11H18O3/c1-3-5-6-7-9-13-10-11(12)14-8-4-2/h4-6H,2-3,7-10H2,1H3/b6-5-
InChIKeyNLVLPJXXBUKQIM-WAYWQWQTSA-N
MW198.26 g/mol
LogP2.09
Rot. Bonds8

About prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate

prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate (PubChem CID 87470273) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(Z)-hex-3-enoxy]acetate
PubChem CID87470273
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameprop-2-enyl 2-[(Z)-hex-3-enoxy]acetate
SMILESC=CCOC(=O)COCC/C=C\CC
InChIInChI=1S/C11H18O3/c1-3-5-6-7-9-13-10-11(12)14-8-4-2/h4-6H,2-3,7-10H2,1H3/b6-5-
InChIKeyNLVLPJXXBUKQIM-WAYWQWQTSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate?
The IUPAC name of prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate (CID 87470273) is prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate.
What is the SMILES notation for prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate?
The canonical SMILES for prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate is C=CCOC(=O)COCC/C=C\CC.
What is the InChIKey of prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate?
The InChIKey is NLVLPJXXBUKQIM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-6-7-9-13-10-11(12)14-8-4-2/h4-6H,2-3,7-10H2,1H3/b6-5-.
What are the key properties of prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate?
prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate has a molecular weight of 198.26 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate is sourced from PubChem (CID 87470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).