12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol

C12H20O3 — CID 13164271

IUPAC12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
SMILESOC1CCC23CCC(O)CC2(COC3)C1
InChIInChI=1S/C12H20O3/c13-9-1-3-11-4-2-10(14)6-12(11,5-9)8-15-7-11/h9-10,13-14H,1-8H2
InChIKeyIKIUSBRRDAMWCI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.08
Rot. Bonds

About 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol

12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol (PubChem CID 13164271) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol.

Molecular Properties

Compound Name12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
PubChem CID13164271
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
SMILESOC1CCC23CCC(O)CC2(COC3)C1
InChIInChI=1S/C12H20O3/c13-9-1-3-11-4-2-10(14)6-12(11,5-9)8-15-7-11/h9-10,13-14H,1-8H2
InChIKeyIKIUSBRRDAMWCI-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
CID 98162186
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
2-oxaspiro[3.4]octan-5-ol
CID 178199967
(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
CID 102268829
1-ethenyl-3-hydroxycyclopentane-1-carboxylic acid
CID 130196105
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309
4,4-bis(fluoromethyl)cyclohexan-1-ol
CID 90016387
2-(3-methyloxetan-3-yl)oxan-4-ol
CID 86717635
(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
CID 98162193

Frequently Asked Questions

What is the IUPAC name of 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol?
The IUPAC name of 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol (CID 13164271) is 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol.
What is the SMILES notation for 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol?
The canonical SMILES for 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol is OC1CCC23CCC(O)CC2(COC3)C1.
What is the InChIKey of 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol?
The InChIKey is IKIUSBRRDAMWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-9-1-3-11-4-2-10(14)6-12(11,5-9)8-15-7-11/h9-10,13-14H,1-8H2.
What are the key properties of 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol?
12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol has a molecular weight of 212.29 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol is sourced from PubChem (CID 13164271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).