(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol

C15H26O2 — CID 146292100

IUPAC(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H]3C(C(O)C3(C)O)[C@]12C
InChIInChI=1S/C15H26O2/c1-8-6-7-9-13(2,3)11-10(14(8,9)4)12(16)15(11,5)17/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10?,11-,12?,14-,15?/m1/s1
InChIKeyYXBYDWZPZOSFMS-WWYDRJEISA-N
MW238.37 g/mol
LogP2.44
Rot. Bonds

About (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol

(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol (PubChem CID 146292100) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol.

Molecular Properties

Compound Name(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol
PubChem CID146292100
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H]3C(C(O)C3(C)O)[C@]12C
InChIInChI=1S/C15H26O2/c1-8-6-7-9-13(2,3)11-10(14(8,9)4)12(16)15(11,5)17/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10?,11-,12?,14-,15?/m1/s1
InChIKeyYXBYDWZPZOSFMS-WWYDRJEISA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol?
The IUPAC name of (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol (CID 146292100) is (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol.
What is the SMILES notation for (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol?
The canonical SMILES for (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol is C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C(C(O)C3(C)O)[C@]12C.
What is the InChIKey of (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol?
The InChIKey is YXBYDWZPZOSFMS-WWYDRJEISA-N. The full InChI is InChI=1S/C15H26O2/c1-8-6-7-9-13(2,3)11-10(14(8,9)4)12(16)15(11,5)17/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10?,11-,12?,14-,15?/m1/s1.
What are the key properties of (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol?
(1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol has a molecular weight of 238.37 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S,10R)-1,4,6,6,10-pentamethyltricyclo[5.3.0.02,5]decane-3,4-diol is sourced from PubChem (CID 146292100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).