(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol

C15H26O2 — CID 15484337

IUPAC(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C3
InChIInChI=1S/C15H26O2/c1-10-5-8-15(17)12(2,3)11-6-7-13(15,4)14(10,16)9-11/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m0/s1
InChIKeyIPUFFAVJUSCNSW-WPTOEGHWSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol

(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol (PubChem CID 15484337) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol.

Molecular Properties

Compound Name(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
PubChem CID15484337
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C3
InChIInChI=1S/C15H26O2/c1-10-5-8-15(17)12(2,3)11-6-7-13(15,4)14(10,16)9-11/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m0/s1
InChIKeyIPUFFAVJUSCNSW-WPTOEGHWSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol?
The IUPAC name of (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol (CID 15484337) is (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol.
What is the SMILES notation for (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol?
The canonical SMILES for (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol is C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C3.
What is the InChIKey of (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol?
The InChIKey is IPUFFAVJUSCNSW-WPTOEGHWSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-8-15(17)12(2,3)11-6-7-13(15,4)14(10,16)9-11/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m0/s1.
What are the key properties of (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol?
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol has a molecular weight of 238.37 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol is sourced from PubChem (CID 15484337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).