methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate

C16H24O3 — CID 59672160

IUPACmethyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate
SMILESCOC(=O)[C@]1(C)CC2=C(C)[C@]3(O)CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C16H24O3/c1-10-12-9-14(2,13(17)19-4)7-11(12)8-15(3)5-6-16(10,15)18/h11,18H,5-9H2,1-4H3/t11-,14-,15-,16+/m0/s1
InChIKeyCNROOTJCSCFYPM-VCOSZWKGSA-N
MW264.36 g/mol
LogP2.83
Rot. Bonds1

About methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate

methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate (PubChem CID 59672160) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate
PubChem CID59672160
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namemethyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate
SMILESCOC(=O)[C@]1(C)CC2=C(C)[C@]3(O)CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C16H24O3/c1-10-12-9-14(2,13(17)19-4)7-11(12)8-15(3)5-6-16(10,15)18/h11,18H,5-9H2,1-4H3/t11-,14-,15-,16+/m0/s1
InChIKeyCNROOTJCSCFYPM-VCOSZWKGSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate with MolForge

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Related Compounds

Sterpuric acid
CID 14108443
5-Hydroxysterpuric acid
CID 168296578
Pasteurestin C
CID 146683532
(3S,6S,8R,10S)-3-hydroxy-6-(hydroxymethyl)-2,10-dimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
CID 163094900
Asperpene C
CID 156581847
3-Hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
CID 5257710
methyl (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate
CID 13943388
tert-butyl (5S)-1-hydroxy-2,2-dimethyl-1,3,4,5,6,7-hexahydroindene-5-carboxylate
CID 101213244
(1'S,3S)-5-hydroxy-7-methylspiro[1,2,7,7a-tetrahydroindene-3,2'-cyclobutane]-1'-carboxylic acid
CID 117879326
1,1,2,2,3,3,6-Heptamethyl-3a,4,7,7a-tetrahydroindene-5-carboxylic acid
CID 123701066
4-hydroxy-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene-3-carboxylic acid
CID 9813671
(3S,6R,8S,10R)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
CID 101560075

Frequently Asked Questions

What is the IUPAC name of methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate?
The IUPAC name of methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate (CID 59672160) is methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate.
What is the SMILES notation for methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate?
The canonical SMILES for methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate is COC(=O)[C@]1(C)CC2=C(C)[C@]3(O)CC[C@@]3(C)C[C@@H]2C1.
What is the InChIKey of methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate?
The InChIKey is CNROOTJCSCFYPM-VCOSZWKGSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-12-9-14(2,13(17)19-4)7-11(12)8-15(3)5-6-16(10,15)18/h11,18H,5-9H2,1-4H3/t11-,14-,15-,16+/m0/s1.
What are the key properties of methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate?
methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate has a molecular weight of 264.36 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylate is sourced from PubChem (CID 59672160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).