(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol

C11H18O — CID 130991380

IUPAC(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
SMILESOC1[C@@H]2CCC[C@]13CCC[C@@H]3C2
InChIInChI=1S/C11H18O/c12-10-8-3-1-5-11(10)6-2-4-9(11)7-8/h8-10,12H,1-7H2/t8-,9-,10?,11-/m1/s1
InChIKeyGBCNHLZNXKCOBA-JHOLWCCGSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds

About (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol

(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol (PubChem CID 130991380) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol.

Molecular Properties

Compound Name(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
PubChem CID130991380
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
SMILESOC1[C@@H]2CCC[C@]13CCC[C@@H]3C2
InChIInChI=1S/C11H18O/c12-10-8-3-1-5-11(10)6-2-4-9(11)7-8/h8-10,12H,1-7H2/t8-,9-,10?,11-/m1/s1
InChIKeyGBCNHLZNXKCOBA-JHOLWCCGSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090
(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol
CID 22215324
(1R,5R,9R,14R)-tricyclo[7.4.1.01,5]tetradec-6-en-14-ol
CID 139041913
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
CID 11499250
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
CID 170440223
(1R,1'R,2S,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide
CID 164833596
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
CID 54754682
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
CID 54754683
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol?
The IUPAC name of (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol (CID 130991380) is (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol.
What is the SMILES notation for (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol?
The canonical SMILES for (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol is OC1[C@@H]2CCC[C@]13CCC[C@@H]3C2.
What is the InChIKey of (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol?
The InChIKey is GBCNHLZNXKCOBA-JHOLWCCGSA-N. The full InChI is InChI=1S/C11H18O/c12-10-8-3-1-5-11(10)6-2-4-9(11)7-8/h8-10,12H,1-7H2/t8-,9-,10?,11-/m1/s1.
What are the key properties of (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol?
(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol is sourced from PubChem (CID 130991380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).