3-chloro-2-prop-2-enoxyoxolane

C7H11ClO2 — CID 524380

IUPAC3-chloro-2-prop-2-enoxyoxolane
SMILESC=CCOC1OCCC1Cl
InChIInChI=1S/C7H11ClO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2
InChIKeyWGYVHRYKBDASQJ-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.54
Rot. Bonds3

About 3-chloro-2-prop-2-enoxyoxolane

3-chloro-2-prop-2-enoxyoxolane (PubChem CID 524380) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-chloro-2-prop-2-enoxyoxolane.

Molecular Properties

Compound Name3-chloro-2-prop-2-enoxyoxolane
PubChem CID524380
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name3-chloro-2-prop-2-enoxyoxolane
SMILESC=CCOC1OCCC1Cl
InChIInChI=1S/C7H11ClO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2
InChIKeyWGYVHRYKBDASQJ-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-prop-2-ynoxyoxolane
CID 4110216
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
3-chloro-2-prop-2-enyloxolane
CID 13494562
3-chloro-2-ethoxyoxane
CID 524402
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
CID 10869017
2,3-dichlorooxolane
CID 19025
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
4-prop-2-enoxycyclohexan-1-ol
CID 23031036
prop-2-enyl oxetane-2-carboxylate
CID 174618210
[(2S,3R)-2-prop-2-enoxyoxan-3-yl] octanoate
CID 10869836
3-chloro-2-(chloromethyl)oxolane
CID 174917237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-prop-2-enoxyoxolane?
The IUPAC name of 3-chloro-2-prop-2-enoxyoxolane (CID 524380) is 3-chloro-2-prop-2-enoxyoxolane.
What is the SMILES notation for 3-chloro-2-prop-2-enoxyoxolane?
The canonical SMILES for 3-chloro-2-prop-2-enoxyoxolane is C=CCOC1OCCC1Cl.
What is the InChIKey of 3-chloro-2-prop-2-enoxyoxolane?
The InChIKey is WGYVHRYKBDASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-2-4-9-7-6(8)3-5-10-7/h2,6-7H,1,3-5H2.
What are the key properties of 3-chloro-2-prop-2-enoxyoxolane?
3-chloro-2-prop-2-enoxyoxolane has a molecular weight of 162.62 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-prop-2-enoxyoxolane is sourced from PubChem (CID 524380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).