tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate

C14H22Cl2O2 — CID 139826731

IUPACtert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate
SMILESCCC1(CC)C(C=C(Cl)Cl)C1C(=O)OC(C)(C)C
InChIInChI=1S/C14H22Cl2O2/c1-6-14(7-2)9(8-10(15)16)11(14)12(17)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyHJBARTGIDWNBBV-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate

tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate (PubChem CID 139826731) has the molecular formula C14H22Cl2O2 and a molecular weight of 293.23 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate
PubChem CID139826731
Molecular FormulaC14H22Cl2O2
Molecular Weight293.23 g/mol
Exact Mass292.10
IUPAC Nametert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate
SMILESCCC1(CC)C(C=C(Cl)Cl)C1C(=O)OC(C)(C)C
InChIInChI=1S/C14H22Cl2O2/c1-6-14(7-2)9(8-10(15)16)11(14)12(17)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyHJBARTGIDWNBBV-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate
CID 25112880
cis-tert-butyl (1S,3R)-2,2-dichloro-3-methylcyclopropane-1-carboxylate
CID 102246878
2-O-tert-butyl 1-O-methyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 13041622
tert-butyl 2,2-dichloro-3,3-diethylcyclopropane-1-carboxylate
CID 21417878
tert-butyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11521335
tert-butyl 2,2-dimethyl-3-[(E)-4-oxobut-1-enyl]cyclopropane-1-carboxylate
CID 87195750
tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
CID 67120937
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23073800
tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate (CID 139826731) is tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate is CCC1(CC)C(C=C(Cl)Cl)C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate?
The InChIKey is HJBARTGIDWNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2O2/c1-6-14(7-2)9(8-10(15)16)11(14)12(17)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate?
tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate has a molecular weight of 293.23 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate is sourced from PubChem (CID 139826731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).