4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane

C12H19ClO3 — CID 15716614

IUPAC4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane
SMILESClCCOCC1COC(C2CC=CCC2)O1
InChIInChI=1S/C12H19ClO3/c13-6-7-14-8-11-9-15-12(16-11)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2
InChIKeyNFYRFIIDJQMAJL-UHFFFAOYSA-N
MW246.73 g/mol
LogP2.34
Rot. Bonds5

About 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane

4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane (PubChem CID 15716614) has the molecular formula C12H19ClO3 and a molecular weight of 246.73 g/mol. Its IUPAC name is 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane
PubChem CID15716614
Molecular FormulaC12H19ClO3
Molecular Weight246.73 g/mol
Exact Mass246.10
IUPAC Name4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane
SMILESClCCOCC1COC(C2CC=CCC2)O1
InChIInChI=1S/C12H19ClO3/c13-6-7-14-8-11-9-15-12(16-11)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2
InChIKeyNFYRFIIDJQMAJL-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
CID 7106458
1-[[(2R,4R)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]-1-methylpiperidin-1-ium
CID 99736881
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
4-(chloromethyl)-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 13435636
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053
[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane
CID 173033683
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane?
The IUPAC name of 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane (CID 15716614) is 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane.
What is the SMILES notation for 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane?
The canonical SMILES for 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane is ClCCOCC1COC(C2CC=CCC2)O1.
What is the InChIKey of 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane?
The InChIKey is NFYRFIIDJQMAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO3/c13-6-7-14-8-11-9-15-12(16-11)10-4-2-1-3-5-10/h1-2,10-12H,3-9H2.
What are the key properties of 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane?
4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane has a molecular weight of 246.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane is sourced from PubChem (CID 15716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).