2-chloro-3,3-diethoxyprop-1-ene

C7H13ClO2 — CID 23263315

IUPAC2-chloro-3,3-diethoxyprop-1-ene
SMILESC=C(Cl)C(OCC)OCC
InChIInChI=1S/C7H13ClO2/c1-4-9-7(6(3)8)10-5-2/h7H,3-5H2,1-2H3
InChIKeyDDHSHXNOKGEBMS-UHFFFAOYSA-N
MW164.63 g/mol
LogP2.14
Rot. Bonds5

About 2-chloro-3,3-diethoxyprop-1-ene

2-chloro-3,3-diethoxyprop-1-ene (PubChem CID 23263315) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 2-chloro-3,3-diethoxyprop-1-ene.

Molecular Properties

Compound Name2-chloro-3,3-diethoxyprop-1-ene
PubChem CID23263315
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name2-chloro-3,3-diethoxyprop-1-ene
SMILESC=C(Cl)C(OCC)OCC
InChIInChI=1S/C7H13ClO2/c1-4-9-7(6(3)8)10-5-2/h7H,3-5H2,1-2H3
InChIKeyDDHSHXNOKGEBMS-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroallylidene-3,3-diacetate
CID 79576
3-(2-Chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
CID 134985874
Lithium 3,3-diethoxyprop-1-ene
CID 11116123
2-Chloro-3,3-dimethoxyprop-1-ene
CID 13835530
3,3-Dichloro-acrolein diethyl acetal
CID 12322396
1-Chloro-3,3-diethoxypropene
CID 73663240
2-Chloroacrolein butyl t-butyl acetal
CID 129806061
2-Chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
CID 134937518
Copper(1+) 3,3-diethoxyprop-1-en-2-ide
CID 76519141
(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
CID 20303574
1,2-Dichloro-3,3-dimethoxyprop-1-ene
CID 53673564
2-Chloro-1,3,3-trimethoxyprop-1-ene
CID 72823993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3-diethoxyprop-1-ene?
The IUPAC name of 2-chloro-3,3-diethoxyprop-1-ene (CID 23263315) is 2-chloro-3,3-diethoxyprop-1-ene.
What is the SMILES notation for 2-chloro-3,3-diethoxyprop-1-ene?
The canonical SMILES for 2-chloro-3,3-diethoxyprop-1-ene is C=C(Cl)C(OCC)OCC.
What is the InChIKey of 2-chloro-3,3-diethoxyprop-1-ene?
The InChIKey is DDHSHXNOKGEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-4-9-7(6(3)8)10-5-2/h7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-3,3-diethoxyprop-1-ene?
2-chloro-3,3-diethoxyprop-1-ene has a molecular weight of 164.63 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3-diethoxyprop-1-ene is sourced from PubChem (CID 23263315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).