2-Chloro-3,3-dimethoxyprop-1-ene

C5H9ClO2 — CID 13835530

IUPAC2-chloro-3,3-dimethoxyprop-1-ene
SMILESCOC(C(=C)Cl)OC
InChIInChI=1S/C5H9ClO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3
InChIKeyCOZIGJOYTJGSHR-UHFFFAOYSA-N
MW136.58 g/mol
LogP1.10
Rot. Bonds3

About 2-Chloro-3,3-dimethoxyprop-1-ene

2-Chloro-3,3-dimethoxyprop-1-ene (PubChem CID 13835530) has the molecular formula C5H9ClO2 and a molecular weight of 136.58 g/mol. Its IUPAC name is 2-chloro-3,3-dimethoxyprop-1-ene.

Molecular Properties

Compound Name2-Chloro-3,3-dimethoxyprop-1-ene
PubChem CID13835530
Molecular FormulaC5H9ClO2
Molecular Weight136.58 g/mol
Exact Mass136.03
IUPAC Name2-chloro-3,3-dimethoxyprop-1-ene
SMILESCOC(C(=C)Cl)OC
InChIInChI=1S/C5H9ClO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3
InChIKeyCOZIGJOYTJGSHR-UHFFFAOYSA-N
XLogP1.10
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity78

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 51.10
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
1,1-Dichloro-4,4-dimethoxybuta-1,2-diene
CID 134921948
2-Chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
CID 134937518
(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
(Z)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 9834055
2-Chloroprop-2-enyl ethyl carbonate
CID 10964862
(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 11378710
2-Chloro-3-hydroperoxy-3-methoxyprop-1-ene
CID 13835531
(Z)-2-chloro-1,1-dimethoxybut-2-ene
CID 13835538
2-Chloro-3-(2-chloroprop-2-enoxymethoxy)prop-1-ene
CID 73892348

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-3,3-dimethoxyprop-1-ene?
The IUPAC name of 2-Chloro-3,3-dimethoxyprop-1-ene (CID 13835530) is 2-chloro-3,3-dimethoxyprop-1-ene.
What is the SMILES notation for 2-Chloro-3,3-dimethoxyprop-1-ene?
The canonical SMILES for 2-Chloro-3,3-dimethoxyprop-1-ene is COC(C(=C)Cl)OC.
What is the InChIKey of 2-Chloro-3,3-dimethoxyprop-1-ene?
The InChIKey is COZIGJOYTJGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3.
What are the key properties of 2-Chloro-3,3-dimethoxyprop-1-ene?
2-Chloro-3,3-dimethoxyprop-1-ene has a molecular weight of 136.58 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-3,3-dimethoxyprop-1-ene is sourced from PubChem (CID 13835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).