(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol

C15H26O2 — CID 155519846

IUPAC(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol
SMILESC[C@@H]1CC[C@@]2(O)C(C)(C)C[C@]3(C)CC[C@@H]1[C@]32O
InChIInChI=1S/C15H26O2/c1-10-5-8-14(16)12(2,3)9-13(4)7-6-11(10)15(13,14)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14-,15+/m1/s1
InChIKeyYNXVTFPRRSPPOQ-WKZARQIDSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol

(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol (PubChem CID 155519846) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol.

Molecular Properties

Compound Name(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol
PubChem CID155519846
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol
SMILESC[C@@H]1CC[C@@]2(O)C(C)(C)C[C@]3(C)CC[C@@H]1[C@]32O
InChIInChI=1S/C15H26O2/c1-10-5-8-14(16)12(2,3)9-13(4)7-6-11(10)15(13,14)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14-,15+/m1/s1
InChIKeyYNXVTFPRRSPPOQ-WKZARQIDSA-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

Analyze (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol?
The IUPAC name of (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol (CID 155519846) is (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol.
What is the SMILES notation for (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol?
The canonical SMILES for (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol is C[C@@H]1CC[C@@]2(O)C(C)(C)C[C@]3(C)CC[C@@H]1[C@]32O.
What is the InChIKey of (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol?
The InChIKey is YNXVTFPRRSPPOQ-WKZARQIDSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-8-14(16)12(2,3)9-13(4)7-6-11(10)15(13,14)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14-,15+/m1/s1.
What are the key properties of (1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol?
(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-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,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol is sourced from PubChem (CID 155519846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).