(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene

C5H8Cl2O2 — CID 20303574

IUPAC(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
SMILESCOC(/C(=C/Cl)/Cl)OC
InChIInChI=1S/C5H8Cl2O2/c1-8-5(9-2)4(7)3-6/h3,5H,1-2H3/b4-3-
InChIKeyBBOLCIRSIUTJBM-ARJAWSKDSA-N
MW171.02 g/mol
LogP1.40
Rot. Bonds3

About (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene

(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene (PubChem CID 20303574) has the molecular formula C5H8Cl2O2 and a molecular weight of 171.02 g/mol. Its IUPAC name is (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene.

Molecular Properties

Compound Name(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
PubChem CID20303574
Molecular FormulaC5H8Cl2O2
Molecular Weight171.02 g/mol
Exact Mass169.99
IUPAC Name(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene
SMILESCOC(/C(=C/Cl)/Cl)OC
InChIInChI=1S/C5H8Cl2O2/c1-8-5(9-2)4(7)3-6/h3,5H,1-2H3/b4-3-
InChIKeyBBOLCIRSIUTJBM-ARJAWSKDSA-N
XLogP1.40
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity99

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 51.40
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-Chloro-3,3-diethoxyprop-1-ene
CID 23263315
3-(2-Chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
CID 134985874
2-Chloro-3,3-dimethoxyprop-1-ene
CID 13835530
2-Chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
CID 134937518
1,2-Dichloro-3,3-dimethoxyprop-1-ene
CID 53673564
2-Chloro-1,3,3-trimethoxyprop-1-ene
CID 72823993
4-Chloro-2-methyl-2-buten-1-al-dimethyl-acetal chloride
CID 131726682
4-Chloro-1,1-dimethoxy-2-methylbut-2-ene;hydrochloride
CID 172712519
(Z)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 9834055
(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 11378710
2-(Chloromethyl)-3,3-dimethoxyprop-1-ene
CID 14594992
3-[1-(2-Chloroethoxy)ethoxy]prop-1-ene
CID 55301835

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene?
The IUPAC name of (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene (CID 20303574) is (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene.
What is the SMILES notation for (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene?
The canonical SMILES for (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene is COC(/C(=C/Cl)/Cl)OC.
What is the InChIKey of (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene?
The InChIKey is BBOLCIRSIUTJBM-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8Cl2O2/c1-8-5(9-2)4(7)3-6/h3,5H,1-2H3/b4-3-.
What are the key properties of (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene?
(Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene has a molecular weight of 171.02 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichloro-3,3-dimethoxyprop-1-ene is sourced from PubChem (CID 20303574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).