(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol

C16H28O2 — CID 10243947

IUPAC(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol
SMILESC[C@]12CCC[C@@]1(C)[C@@H]1C[C@@H](O)[C@@](C)(O)[C@@](C)(C1)C2
InChIInChI=1S/C16H28O2/c1-13-6-5-7-15(13,3)11-8-12(17)16(4,18)14(2,9-11)10-13/h11-12,17-18H,5-10H2,1-4H3/t11-,12-,13-,14+,15+,16-/m1/s1
InChIKeyXRQSTTNKGOSZDE-FGZZBPHYSA-N
MW252.40 g/mol
LogP3.11
Rot. Bonds

About (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol

(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol (PubChem CID 10243947) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol.

Molecular Properties

Compound Name(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol
PubChem CID10243947
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol
SMILESC[C@]12CCC[C@@]1(C)[C@@H]1C[C@@H](O)[C@@](C)(O)[C@@](C)(C1)C2
InChIInChI=1S/C16H28O2/c1-13-6-5-7-15(13,3)11-8-12(17)16(4,18)14(2,9-11)10-13/h11-12,17-18H,5-10H2,1-4H3/t11-,12-,13-,14+,15+,16-/m1/s1
InChIKeyXRQSTTNKGOSZDE-FGZZBPHYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol?
The IUPAC name of (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol (CID 10243947) is (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol.
What is the SMILES notation for (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol?
The canonical SMILES for (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol is C[C@]12CCC[C@@]1(C)[C@@H]1C[C@@H](O)[C@@](C)(O)[C@@](C)(C1)C2.
What is the InChIKey of (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol?
The InChIKey is XRQSTTNKGOSZDE-FGZZBPHYSA-N. The full InChI is InChI=1S/C16H28O2/c1-13-6-5-7-15(13,3)11-8-12(17)16(4,18)14(2,9-11)10-13/h11-12,17-18H,5-10H2,1-4H3/t11-,12-,13-,14+,15+,16-/m1/s1.
What are the key properties of (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol?
(1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol has a molecular weight of 252.40 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,8S,9S,10R)-2,6,8,9-tetramethyltricyclo[6.3.1.02,6]dodecane-9,10-diol is sourced from PubChem (CID 10243947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).