(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol

C15H26O2 — CID 44559977

IUPAC(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
SMILESCC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14-,15+/m0/s1
InChIKeySFJOMLIUSIKKRA-CUZKYEQNSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol

(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol (PubChem CID 44559977) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol.

Molecular Properties

Compound Name(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
PubChem CID44559977
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
SMILESCC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14-,15+/m0/s1
InChIKeySFJOMLIUSIKKRA-CUZKYEQNSA-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,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The IUPAC name of (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol (CID 44559977) is (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol.
What is the SMILES notation for (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The canonical SMILES for (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol is CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O.
What is the InChIKey of (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The InChIKey is SFJOMLIUSIKKRA-CUZKYEQNSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14-,15+/m0/s1.
What are the key properties of (1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
(1R,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-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,2R,5S,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol is sourced from PubChem (CID 44559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).