ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate

C14H20O3 — CID 135036680

IUPACethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC3C1CC[C@@H](O)C3C2
InChIInChI=1S/C14H20O3/c1-2-17-14(16)13-8-3-4-9-10(13)5-6-12(15)11(9)7-8/h3-4,8-13,15H,2,5-7H2,1H3/t8?,9?,10?,11?,12-,13?/m1/s1
InChIKeyXXVXZOYJCQPYGL-RVTXZMPXSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds2

About ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate

ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate (PubChem CID 135036680) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
PubChem CID135036680
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
SMILESCCOC(=O)C1C2C=CC3C1CC[C@@H](O)C3C2
InChIInChI=1S/C14H20O3/c1-2-17-14(16)13-8-3-4-9-10(13)5-6-12(15)11(9)7-8/h3-4,8-13,15H,2,5-7H2,1H3/t8?,9?,10?,11?,12-,13?/m1/s1
InChIKeyXXVXZOYJCQPYGL-RVTXZMPXSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R,7S)-8-ethoxycarbonyltricyclo[4.2.2.02,5]dec-3-ene-7-carboxylic acid
CID 166941552
ethyl (1R,2S,3S,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102174206
ethyl (6R)-6-(3,5-dinitrobenzoyl)oxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
CID 134864831
ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 76818496
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 46835766
ethyl 3-hydroxybicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 118520826
ethyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86327414
ethyl (2R,3S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13396162
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate?
The IUPAC name of ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate (CID 135036680) is ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate.
What is the SMILES notation for ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate?
The canonical SMILES for ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate is CCOC(=O)C1C2C=CC3C1CC[C@@H](O)C3C2.
What is the InChIKey of ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate?
The InChIKey is XXVXZOYJCQPYGL-RVTXZMPXSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-17-14(16)13-8-3-4-9-10(13)5-6-12(15)11(9)7-8/h3-4,8-13,15H,2,5-7H2,1H3/t8?,9?,10?,11?,12-,13?/m1/s1.
What are the key properties of ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate?
ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate is sourced from PubChem (CID 135036680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).