ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate

C14H19ClO2 — CID 138965531

IUPACethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
SMILESCCOC(=O)C1=C(Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19ClO2/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11H,2-7H2,1H3
InChIKeyNAPRJNOWGCECAG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.50
Rot. Bonds2

About ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate

ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate (PubChem CID 138965531) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
PubChem CID138965531
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Nameethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
SMILESCCOC(=O)C1=C(Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19ClO2/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11H,2-7H2,1H3
InChIKeyNAPRJNOWGCECAG-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
CID 54678668
Ethyl 2-cyclohexylcyclohexene-1-carboxylate
CID 134967217
Ethyl tricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
CID 138966196
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-chlorocyclohexene-1-carboxylate
CID 10661844
methyl (1S,8R)-tricyclo[4.3.1.13,8]undec-3-ene-4-carboxylate
CID 102002807

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The IUPAC name of ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate (CID 138965531) is ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate.
What is the SMILES notation for ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The canonical SMILES for ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate is CCOC(=O)C1=C(Cl)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The InChIKey is NAPRJNOWGCECAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11H,2-7H2,1H3.
What are the key properties of ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate has a molecular weight of 254.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate is sourced from PubChem (CID 138965531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).