(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol

C15H24O3 — CID 14544233

IUPAC(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol
SMILESCC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)C[C@@H](O)[C@]12O
InChIInChI=1S/C15H24O3/c1-8-9-5-13(2,3)12(17)10(9)6-14(4)7-11(16)15(8,14)18/h10-12,16-18H,5-7H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1
InChIKeyXLBWTJGHQUFUDJ-PGKPSXLWSA-N
MW252.35 g/mol
LogP1.62
Rot. Bonds

About (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol

(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol (PubChem CID 14544233) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol.

Molecular Properties

Compound Name(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol
PubChem CID14544233
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol
SMILESCC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)C[C@@H](O)[C@]12O
InChIInChI=1S/C15H24O3/c1-8-9-5-13(2,3)12(17)10(9)6-14(4)7-11(16)15(8,14)18/h10-12,16-18H,5-7H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1
InChIKeyXLBWTJGHQUFUDJ-PGKPSXLWSA-N
XLogP1.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol?
The IUPAC name of (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol (CID 14544233) is (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol.
What is the SMILES notation for (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol?
The canonical SMILES for (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol is CC1=C2CC(C)(C)[C@H](O)[C@H]2C[C@]2(C)C[C@@H](O)[C@]12O.
What is the InChIKey of (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol?
The InChIKey is XLBWTJGHQUFUDJ-PGKPSXLWSA-N. The full InChI is InChI=1S/C15H24O3/c1-8-9-5-13(2,3)12(17)10(9)6-14(4)7-11(16)15(8,14)18/h10-12,16-18H,5-7H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1.
What are the key properties of (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol?
(3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol has a molecular weight of 252.35 g/mol, XLogP of 1.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,4,9-triol is sourced from PubChem (CID 14544233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).