(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol

C13H22O — CID 130757656

IUPAC(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol
SMILESCC1(C)CC[C@@H](O)[C@H]2[C@@H]3CCC[C@@H]3[C@@H]21
InChIInChI=1S/C13H22O/c1-13(2)7-6-10(14)11-8-4-3-5-9(8)12(11)13/h8-12,14H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1
InChIKeyCYYJATJCOWSUMS-ROHXPCBUSA-N
MW194.32 g/mol
LogP2.83
Rot. Bonds

About (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol

(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol (PubChem CID 130757656) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol.

Molecular Properties

Compound Name(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol
PubChem CID130757656
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol
SMILESCC1(C)CC[C@@H](O)[C@H]2[C@@H]3CCC[C@@H]3[C@@H]21
InChIInChI=1S/C13H22O/c1-13(2)7-6-10(14)11-8-4-3-5-9(8)12(11)13/h8-12,14H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1
InChIKeyCYYJATJCOWSUMS-ROHXPCBUSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol?
The IUPAC name of (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol (CID 130757656) is (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol.
What is the SMILES notation for (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol?
The canonical SMILES for (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol is CC1(C)CC[C@@H](O)[C@H]2[C@@H]3CCC[C@@H]3[C@@H]21.
What is the InChIKey of (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol?
The InChIKey is CYYJATJCOWSUMS-ROHXPCBUSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2)7-6-10(14)11-8-4-3-5-9(8)12(11)13/h8-12,14H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1.
What are the key properties of (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol?
(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol has a molecular weight of 194.32 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol is sourced from PubChem (CID 130757656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).