(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol

C12H20O2 — CID 10559802

IUPAC(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol
SMILESO[C@]12CCC[C@H]3CCC[C@@]3(CCC1)O2
InChIInChI=1S/C12H20O2/c13-12-8-2-5-10-4-1-6-11(10,14-12)7-3-9-12/h10,13H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyWGBSSULZXUIFHD-WOPDTQHZSA-N
MW196.29 g/mol
LogP2.60
Rot. Bonds

About (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol

(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol (PubChem CID 10559802) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol.

Molecular Properties

Compound Name(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol
PubChem CID10559802
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol
SMILESO[C@]12CCC[C@H]3CCC[C@@]3(CCC1)O2
InChIInChI=1S/C12H20O2/c13-12-8-2-5-10-4-1-6-11(10,14-12)7-3-9-12/h10,13H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyWGBSSULZXUIFHD-WOPDTQHZSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol
CID 15833764
(1S,6R,9R)-13-oxatricyclo[7.3.1.01,6]tridecan-9-ol
CID 15828396
5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol
CID 606210
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
CID 15438099
2-cyclobutyloxetan-2-ol
CID 174975220
9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol
CID 73120868
(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
CID 100984466
12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
CID 13446685
1,2,3,4,5,6,7,7a-octahydroindene-3a,4-diol
CID 13396648
2,9-diazapentacyclo[9.3.3.34,8.01,10.03,8]icosane-3,10-diol
CID 71037564
2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
CID 130150685

Frequently Asked Questions

What is the IUPAC name of (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol?
The IUPAC name of (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol (CID 10559802) is (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol.
What is the SMILES notation for (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol?
The canonical SMILES for (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol is O[C@]12CCC[C@H]3CCC[C@@]3(CCC1)O2.
What is the InChIKey of (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol?
The InChIKey is WGBSSULZXUIFHD-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H20O2/c13-12-8-2-5-10-4-1-6-11(10,14-12)7-3-9-12/h10,13H,1-9H2/t10-,11+,12+/m1/s1.
What are the key properties of (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol?
(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol has a molecular weight of 196.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol is sourced from PubChem (CID 10559802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).