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

C14H20O3 — CID 54678668

IUPACethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
SMILESCCOC(=O)C1=C(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O3/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11,15H,2-7H2,1H3
InChIKeyHMPKPJPFOLOZFS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.82
Rot. Bonds2

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

ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate (PubChem CID 54678668) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
PubChem CID54678668
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
SMILESCCOC(=O)C1=C(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O3/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11,15H,2-7H2,1H3
InChIKeyHMPKPJPFOLOZFS-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate with MolForge

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Related Compounds

Ethyl 5-oxotricyclo[4.3.1.1^3,8^]undecane-4-carboxylate difluoroborate
CID 139066298
Ethyl 2-cyclohexylcyclohexene-1-carboxylate
CID 134967217
methyl (4aR,8aR)-2-hydroxy-4a,7,7-trimethyl-3,4,5,6,8,8a-hexahydronaphthalene-1-carboxylate
CID 135037163
Ethyl 5-chlorotricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
CID 138965531
Ethyl tricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
CID 138966196
Ethyl 5-difluoroboranyloxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate
CID 23250353
ethyl (6R)-2-hydroxy-6-(2-oxohexyl)cyclohexene-1-carboxylate
CID 54688195
ethyl (6R)-2-hydroxy-6-(4-methyl-2-oxopentyl)cyclohexene-1-carboxylate
CID 54688196
(3S,4aR)-3-ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-1-one
CID 54688197
(3R,4aR)-8-hydroxy-3-propan-2-yl-3,4,4a,5,6,7-hexahydroisochromen-1-one
CID 54688198
(3S,4aR)-3-butyl-8-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-1-one
CID 54688199
(3R,4aS)-3-butyl-8-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-1-one
CID 54706337

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The IUPAC name of ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate (CID 54678668) is ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate is CCOC(=O)C1=C(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
The InChIKey is HMPKPJPFOLOZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-11,15H,2-7H2,1H3.
What are the key properties of ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate?
ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxytricyclo[4.3.1.13,8]undec-4-ene-4-carboxylate is sourced from PubChem (CID 54678668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).