(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol

C11H18O2 — CID 15833764

IUPAC(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol
SMILESO[C@]12CCC[C@H]3CCC[C@@]3(CC1)O2
InChIInChI=1S/C11H18O2/c12-11-6-2-4-9-3-1-5-10(9,13-11)7-8-11/h9,12H,1-8H2/t9-,10+,11+/m1/s1
InChIKeyGVLVVGJTRDUSDE-VWYCJHECSA-N
MW182.26 g/mol
LogP2.21
Rot. Bonds

About (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol

(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol (PubChem CID 15833764) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol.

Molecular Properties

Compound Name(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol
PubChem CID15833764
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol
SMILESO[C@]12CCC[C@H]3CCC[C@@]3(CC1)O2
InChIInChI=1S/C11H18O2/c12-11-6-2-4-9-3-1-5-10(9,13-11)7-8-11/h9,12H,1-8H2/t9-,10+,11+/m1/s1
InChIKeyGVLVVGJTRDUSDE-VWYCJHECSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol with MolForge

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Related Compounds

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CID 10559802
(1S,6R,9R)-13-oxatricyclo[7.3.1.01,6]tridecan-9-ol
CID 15828396
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol
CID 606210
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
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
(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodecane
CID 23327517
2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
CID 44665065

Frequently Asked Questions

What is the IUPAC name of (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The IUPAC name of (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol (CID 15833764) is (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol.
What is the SMILES notation for (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The canonical SMILES for (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol is O[C@]12CCC[C@H]3CCC[C@@]3(CC1)O2.
What is the InChIKey of (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The InChIKey is GVLVVGJTRDUSDE-VWYCJHECSA-N. The full InChI is InChI=1S/C11H18O2/c12-11-6-2-4-9-3-1-5-10(9,13-11)7-8-11/h9,12H,1-8H2/t9-,10+,11+/m1/s1.
What are the key properties of (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
(1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol has a molecular weight of 182.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,9S)-12-oxatricyclo[7.2.1.01,5]dodecan-9-ol is sourced from PubChem (CID 15833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).