(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol

C15H26O — CID 44575859

IUPAC(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
SMILESC[C@@H]1CCC[C@]23C[C@@H](CC[C@@]12C)[C@@](C)(O)C3
InChIInChI=1S/C15H26O/c1-11-5-4-7-15-9-12(14(3,16)10-15)6-8-13(11,15)2/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyXMGYHZMNIUZSLJ-NIFZNCRKSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds

About (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol

(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol (PubChem CID 44575859) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol.

Molecular Properties

Compound Name(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
PubChem CID44575859
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
SMILESC[C@@H]1CCC[C@]23C[C@@H](CC[C@@]12C)[C@@](C)(O)C3
InChIInChI=1S/C15H26O/c1-11-5-4-7-15-9-12(14(3,16)10-15)6-8-13(11,15)2/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyXMGYHZMNIUZSLJ-NIFZNCRKSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol?
The IUPAC name of (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol (CID 44575859) is (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol.
What is the SMILES notation for (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol?
The canonical SMILES for (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol is C[C@@H]1CCC[C@]23C[C@@H](CC[C@@]12C)[C@@](C)(O)C3.
What is the InChIKey of (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol?
The InChIKey is XMGYHZMNIUZSLJ-NIFZNCRKSA-N. The full InChI is InChI=1S/C15H26O/c1-11-5-4-7-15-9-12(14(3,16)10-15)6-8-13(11,15)2/h11-12,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1.
What are the key properties of (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol?
(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol is sourced from PubChem (CID 44575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).