2-Chloro-1,3,3-trimethoxyprop-1-ene

C6H11ClO3 — CID 72823993

IUPAC2-chloro-1,3,3-trimethoxyprop-1-ene
SMILESCOC=C(C(OC)OC)Cl
InChIInChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3
InChIKeyYCJCGTYELZKUJB-UHFFFAOYSA-N
MW166.60 g/mol
LogP0.70
Rot. Bonds4

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

2-Chloro-1,3,3-trimethoxyprop-1-ene (PubChem CID 72823993) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 2-chloro-1,3,3-trimethoxyprop-1-ene.

Molecular Properties

Compound Name2-Chloro-1,3,3-trimethoxyprop-1-ene
PubChem CID72823993
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name2-chloro-1,3,3-trimethoxyprop-1-ene
SMILESCOC=C(C(OC)OC)Cl
InChIInChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3
InChIKeyYCJCGTYELZKUJB-UHFFFAOYSA-N
XLogP0.70
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
2-Chloro-3,3-dimethoxyprop-1-ene
CID 13835530
(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-triethoxyprop-1-ene
CID 85044404
(E)-2-chloro-1,3,3-triethoxyprop-1-ene
CID 9813132
(Z)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 9834055
(E)-2-chloro-1,3,3-trimethoxyprop-1-ene
CID 11378710
(Z)-2-chloro-1,1-dimethoxybut-2-ene
CID 13835538
2-Chloro-1,1-dimethoxybut-2-ene
CID 131865587

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-1,3,3-trimethoxyprop-1-ene?
The IUPAC name of 2-Chloro-1,3,3-trimethoxyprop-1-ene (CID 72823993) is 2-chloro-1,3,3-trimethoxyprop-1-ene.
What is the SMILES notation for 2-Chloro-1,3,3-trimethoxyprop-1-ene?
The canonical SMILES for 2-Chloro-1,3,3-trimethoxyprop-1-ene is COC=C(C(OC)OC)Cl.
What is the InChIKey of 2-Chloro-1,3,3-trimethoxyprop-1-ene?
The InChIKey is YCJCGTYELZKUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-8-4-5(7)6(9-2)10-3/h4,6H,1-3H3.
What are the key properties of 2-Chloro-1,3,3-trimethoxyprop-1-ene?
2-Chloro-1,3,3-trimethoxyprop-1-ene has a molecular weight of 166.60 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-1,3,3-trimethoxyprop-1-ene is sourced from PubChem (CID 72823993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).