(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol

C15H26O2 — CID 54754032

IUPAC(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol
SMILESCC1(C)C[C@H]2[C@H]1C[C@H](O)[C@]1(C)CCC[C@@]2(O)C1
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)7-12(16)14(3)5-4-6-15(11,17)9-14/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14-,15-/m1/s1
InChIKeyDLQCYNDJQGMHRX-CYHVGBIXSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol

(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol (PubChem CID 54754032) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol.

Molecular Properties

Compound Name(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol
PubChem CID54754032
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol
SMILESCC1(C)C[C@H]2[C@H]1C[C@H](O)[C@]1(C)CCC[C@@]2(O)C1
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)7-12(16)14(3)5-4-6-15(11,17)9-14/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14-,15-/m1/s1
InChIKeyDLQCYNDJQGMHRX-CYHVGBIXSA-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,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol?
The IUPAC name of (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol (CID 54754032) is (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol.
What is the SMILES notation for (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol?
The canonical SMILES for (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol is CC1(C)C[C@H]2[C@H]1C[C@H](O)[C@]1(C)CCC[C@@]2(O)C1.
What is the InChIKey of (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol?
The InChIKey is DLQCYNDJQGMHRX-CYHVGBIXSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)8-11-10(13)7-12(16)14(3)5-4-6-15(11,17)9-14/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14-,15-/m1/s1.
What are the key properties of (1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol?
(1R,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-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,2S,5R,7S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,7-diol is sourced from PubChem (CID 54754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).