3-[1-(2-chloroethoxy)ethoxy]prop-1-ene

C7H13ClO2 — CID 55301835

IUPAC3-[1-(2-chloroethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(C)OCCCl
InChIInChI=1S/C7H13ClO2/c1-3-5-9-7(2)10-6-4-8/h3,7H,1,4-6H2,2H3
InChIKeyLHTMJILZHFVGSQ-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.79
Rot. Bonds6

About 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene

3-[1-(2-chloroethoxy)ethoxy]prop-1-ene (PubChem CID 55301835) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[1-(2-chloroethoxy)ethoxy]prop-1-ene
PubChem CID55301835
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name3-[1-(2-chloroethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(C)OCCCl
InChIInChI=1S/C7H13ClO2/c1-3-5-9-7(2)10-6-4-8/h3,7H,1,4-6H2,2H3
InChIKeyLHTMJILZHFVGSQ-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3,3-diethoxyprop-1-ene
CID 23263315
3-(2-Chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
CID 134985874
1-Chloro-3,3-diethoxypropene
CID 73663240
2-Chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
CID 134937518
2-Allyloxy-3-chloro-tetrahydro-furan
CID 524380
1-Chloroethyl prop-2-enyl carbonate
CID 14026952
2-(Chloromethyl)-4,7-dihydro-1,3-dioxepine
CID 14965631
(E)-4-chloro-1,1-dimethoxybut-2-ene
CID 15827966
3-[2-Chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene
CID 19777599
(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
CID 20303574
1,2-Dichloro-3,3-dimethoxyprop-1-ene
CID 53673564
4-Chloro-1,1-dimethyoxy-2-butene
CID 53977328

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene (CID 55301835) is 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene is C=CCOC(C)OCCCl.
What is the InChIKey of 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene?
The InChIKey is LHTMJILZHFVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-3-5-9-7(2)10-6-4-8/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene?
3-[1-(2-chloroethoxy)ethoxy]prop-1-ene has a molecular weight of 164.63 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloroethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 55301835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).