tricyclo[4.4.1.01,6]undecan-2-ol

C11H18O — CID 130125285

IUPACtricyclo[4.4.1.01,6]undecan-2-ol
SMILESOC1CCCC23CCCCC12C3
InChIInChI=1S/C11H18O/c12-9-4-3-6-10-5-1-2-7-11(9,10)8-10/h9,12H,1-8H2
InChIKeyZTAVZCOAWSWKNS-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.48
Rot. Bonds

About tricyclo[4.4.1.01,6]undecan-2-ol

tricyclo[4.4.1.01,6]undecan-2-ol (PubChem CID 130125285) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is tricyclo[4.4.1.01,6]undecan-2-ol.

Molecular Properties

Compound Nametricyclo[4.4.1.01,6]undecan-2-ol
PubChem CID130125285
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nametricyclo[4.4.1.01,6]undecan-2-ol
SMILESOC1CCCC23CCCCC12C3
InChIInChI=1S/C11H18O/c12-9-4-3-6-10-5-1-2-7-11(9,10)8-10/h9,12H,1-8H2
InChIKeyZTAVZCOAWSWKNS-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,6S,7R)-tricyclo[4.3.1.01,6]decan-7-ol
CID 131155644
(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
(7S,11R)-tricyclo[4.3.3.01,6]dodecane-7,11-diol
CID 102268829
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
spiro[4.5]decan-4-ol;dihydrochloride
CID 141041320
cyclopentane-1,1,2-triol
CID 19830380
CID 10423805
CID 10423805
(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
CID 15438101

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.4.1.01,6]undecan-2-ol?
The IUPAC name of tricyclo[4.4.1.01,6]undecan-2-ol (CID 130125285) is tricyclo[4.4.1.01,6]undecan-2-ol.
What is the SMILES notation for tricyclo[4.4.1.01,6]undecan-2-ol?
The canonical SMILES for tricyclo[4.4.1.01,6]undecan-2-ol is OC1CCCC23CCCCC12C3.
What is the InChIKey of tricyclo[4.4.1.01,6]undecan-2-ol?
The InChIKey is ZTAVZCOAWSWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-9-4-3-6-10-5-1-2-7-11(9,10)8-10/h9,12H,1-8H2.
What are the key properties of tricyclo[4.4.1.01,6]undecan-2-ol?
tricyclo[4.4.1.01,6]undecan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.4.1.01,6]undecan-2-ol is sourced from PubChem (CID 130125285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).