(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol

C15H26O2 — CID 102258985

IUPAC(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OCC1(C)O
InChIInChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-11-6-7-15(13,3)17-9-14(11,2)16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14?,15+/m1/s1
InChIKeyMIUADIOWZDNRCZ-BWTKQZKTSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds

About (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol

(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol (PubChem CID 102258985) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol.

Molecular Properties

Compound Name(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol
PubChem CID102258985
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OCC1(C)O
InChIInChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-11-6-7-15(13,3)17-9-14(11,2)16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14?,15+/m1/s1
InChIKeyMIUADIOWZDNRCZ-BWTKQZKTSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol with MolForge

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Related Compounds

(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol
CID 101222298
(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
CID 157258818
(1aS,3R,4S,4aR,7R,7aR,7bS)-4,7-dimethyl-1a-propan-2-yl-2,3,4a,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxirene-3,4-diol
CID 71499914
(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
CID 101222299
(1S,5S,8R,9R)-4-tert-butyl-8-methyl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
CID 159756104

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol?
The IUPAC name of (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol (CID 102258985) is (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol.
What is the SMILES notation for (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol?
The canonical SMILES for (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol is C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OCC1(C)O.
What is the InChIKey of (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol?
The InChIKey is MIUADIOWZDNRCZ-BWTKQZKTSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-11-6-7-15(13,3)17-9-14(11,2)16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14?,15+/m1/s1.
What are the key properties of (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol?
(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol is sourced from PubChem (CID 102258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).