2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane

C8H13ClO2 — CID 11789753

IUPAC2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(/C=C/Cl)OCCO1
InChIInChI=1S/C8H13ClO2/c1-2-3-8(4-5-9)10-6-7-11-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyMLNGSDAGWDAVPD-SNAWJCMRSA-N
MW176.64 g/mol
LogP2.28
Rot. Bonds3

About 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane

2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane (PubChem CID 11789753) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
PubChem CID11789753
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(/C=C/Cl)OCCO1
InChIInChI=1S/C8H13ClO2/c1-2-3-8(4-5-9)10-6-7-11-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyMLNGSDAGWDAVPD-SNAWJCMRSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane
CID 22042413
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
2-[(2-butyl-1,3-dioxolan-2-yl)methylidene]butanoic acid
CID 70631028
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol
CID 54597703
7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10679503
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-butyl-2-(3-chloropropyl)-1,3-dioxolane
CID 177295352
2-(2-prop-1-enyl-1,3-dioxolan-2-yl)acetaldehyde
CID 142653371

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane (CID 11789753) is 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane is CCCC1(/C=C/Cl)OCCO1.
What is the InChIKey of 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane?
The InChIKey is MLNGSDAGWDAVPD-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13ClO2/c1-2-3-8(4-5-9)10-6-7-11-8/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane?
2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane has a molecular weight of 176.64 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane is sourced from PubChem (CID 11789753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).