(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol

C12H20O2 — CID 102268829

IUPAC(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
SMILESO[C@@H]1CC23CCCCC2(C1)[C@@H](O)CC3
InChIInChI=1S/C12H20O2/c13-9-7-11-4-1-2-5-12(11,8-9)10(14)3-6-11/h9-10,13-14H,1-8H2/t9-,10+,11?,12?/m1/s1
InChIKeyONOIVHPXEURVLR-QKEWWQLBSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds

About (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol

(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol (PubChem CID 102268829) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol.

Molecular Properties

Compound Name(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
PubChem CID102268829
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
SMILESO[C@@H]1CC23CCCCC2(C1)[C@@H](O)CC3
InChIInChI=1S/C12H20O2/c13-9-7-11-4-1-2-5-12(11,8-9)10(14)3-6-11/h9-10,13-14H,1-8H2/t9-,10+,11?,12?/m1/s1
InChIKeyONOIVHPXEURVLR-QKEWWQLBSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S,7R)-tricyclo[4.3.1.01,6]decan-7-ol
CID 131155644
(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
CID 98162186
tricyclo[4.4.1.01,6]undecan-2-ol
CID 130125285
(1S,2R,6R)-tricyclo[4.3.2.01,6]undecan-2-ol
CID 13404803
(1S,2S,6R)-tricyclo[4.3.2.01,6]undecan-2-ol
CID 131887686
12-oxatricyclo[4.4.3.01,6]tridecane-3,9-diol
CID 13164271
5,5-dimethylcyclononan-1-ol
CID 130122952
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
CID 10423805
CID 10423805
(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
CID 98555342
(1S,6R,8R,10R,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
CID 124812690

Frequently Asked Questions

What is the IUPAC name of (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol?
The IUPAC name of (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol (CID 102268829) is (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol.
What is the SMILES notation for (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol?
The canonical SMILES for (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol is O[C@@H]1CC23CCCCC2(C1)[C@@H](O)CC3.
What is the InChIKey of (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol?
The InChIKey is ONOIVHPXEURVLR-QKEWWQLBSA-N. The full InChI is InChI=1S/C12H20O2/c13-9-7-11-4-1-2-5-12(11,8-9)10(14)3-6-11/h9-10,13-14H,1-8H2/t9-,10+,11?,12?/m1/s1.
What are the key properties of (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol?
(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol is sourced from PubChem (CID 102268829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).