(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one

C11H15ClO2 — CID 11378906

IUPAC(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one
SMILESC=CC1COC(=O)/C1=C(/Cl)CCCC
InChIInChI=1S/C11H15ClO2/c1-3-5-6-9(12)10-8(4-2)7-14-11(10)13/h4,8H,2-3,5-7H2,1H3/b10-9+
InChIKeyPFIOSMUPVGVTDN-MDZDMXLPSA-N
MW214.69 g/mol
LogP3.03
Rot. Bonds4

About (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one

(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one (PubChem CID 11378906) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one
PubChem CID11378906
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one
SMILESC=CC1COC(=O)/C1=C(/Cl)CCCC
InChIInChI=1S/C11H15ClO2/c1-3-5-6-9(12)10-8(4-2)7-14-11(10)13/h4,8H,2-3,5-7H2,1H3/b10-9+
InChIKeyPFIOSMUPVGVTDN-MDZDMXLPSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(1-chloroethylidene)-4-ethenyloxolan-2-one
CID 11332744
(3Z)-4-ethenyl-3-ethylideneoxolan-2-one
CID 15890707
(3Z,4R)-4-ethenyl-3-ethylideneoxolan-2-one
CID 102379183
(3Z,4S,5S)-3-(1-chloroethylidene)-4-ethenyl-5-methyloxolan-2-one
CID 134980987
(3E)-4-(chloromethyl)-3-(1-chloropentylidene)oxolan-2-one
CID 10421645
(3Z)-4-(chloromethyl)-3-(1-chloropentylidene)oxolan-2-one
CID 10421646
(3E)-3-(3-methylbutylidene)oxolan-2-one
CID 12427387
(3Z)-3-(3-methylbutylidene)oxolan-2-one
CID 12427388
(3E)-3-hexylidene-4-methyloxolan-2-one
CID 69769206
3-Hexylidene-4-methyloxolan-2-one
CID 77710827
Ethenyl 3-chloro-2-(2,5-dioxofuran-3-yl)but-3-enoate
CID 87837928
3-(3-Methylpentylidene)oxolan-2-one
CID 139618403

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one?
The IUPAC name of (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one (CID 11378906) is (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one.
What is the SMILES notation for (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one?
The canonical SMILES for (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one is C=CC1COC(=O)/C1=C(/Cl)CCCC.
What is the InChIKey of (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one?
The InChIKey is PFIOSMUPVGVTDN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-5-6-9(12)10-8(4-2)7-14-11(10)13/h4,8H,2-3,5-7H2,1H3/b10-9+.
What are the key properties of (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one?
(3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one has a molecular weight of 214.69 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-chloropentylidene)-4-ethenyloxolan-2-one is sourced from PubChem (CID 11378906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).