[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate

C10H15ClO4 — CID 138970398

IUPAC[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate
SMILESC=C(Cl)CC(COC(C)=O)COC(C)=O
InChIInChI=1S/C10H15ClO4/c1-7(11)4-10(5-14-8(2)12)6-15-9(3)13/h10H,1,4-6H2,2-3H3
InChIKeyUUXKSMXSFHEERT-UHFFFAOYSA-N
MW234.68 g/mol
LogP1.87
Rot. Bonds6

About [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate

[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate (PubChem CID 138970398) has the molecular formula C10H15ClO4 and a molecular weight of 234.68 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate
PubChem CID138970398
Molecular FormulaC10H15ClO4
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Name[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate
SMILESC=C(Cl)CC(COC(C)=O)COC(C)=O
InChIInChI=1S/C10H15ClO4/c1-7(11)4-10(5-14-8(2)12)6-15-9(3)13/h10H,1,4-6H2,2-3H3
InChIKeyUUXKSMXSFHEERT-UHFFFAOYSA-N
XLogP1.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-2-(bromomethyl)propyl] acetate
CID 14664196
[2-(acetyloxymethyl)-4-hydroxybutyl] acetate
CID 10176610
3-(acetyloxymethyl)-4-hydroxybutanoic acid
CID 87535769
2-(acetyloxymethyl)pentyl 2-methylprop-2-enoate
CID 131979241
2-chloropropyl acetate
CID 527885
[(2S)-2-(hydroxymethyl)butyl] acetate
CID 58892806
dichloromethane;2-methylpropyl acetate
CID 174845885
(2,3-diamino-3-oxopropyl) acetate
CID 130975644
(2-chloro-3-oxobutyl) acetate
CID 45120062
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
[2-(acetyloxymethyl)-4-hydroxy-4-methylpentyl] acetate
CID 122525309
[2-(acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
CID 15238264

Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate (CID 138970398) is [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate is C=C(Cl)CC(COC(C)=O)COC(C)=O.
What is the InChIKey of [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate?
The InChIKey is UUXKSMXSFHEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO4/c1-7(11)4-10(5-14-8(2)12)6-15-9(3)13/h10H,1,4-6H2,2-3H3.
What are the key properties of [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate?
[2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate has a molecular weight of 234.68 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-4-chloropent-4-enyl] acetate is sourced from PubChem (CID 138970398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).