(1S,12R)-bicyclo[10.1.0]tridecan-1-ol

C13H24O — CID 11095570

IUPAC(1S,12R)-bicyclo[10.1.0]tridecan-1-ol
SMILESO[C@]12CCCCCCCCCC[C@@H]1C2
InChIInChI=1S/C13H24O/c14-13-10-8-6-4-2-1-3-5-7-9-12(13)11-13/h12,14H,1-11H2/t12-,13+/m1/s1
InChIKeyCOKXSDKPKBYDIG-OLZOCXBDSA-N
MW196.33 g/mol
LogP3.65
Rot. Bonds

About (1S,12R)-bicyclo[10.1.0]tridecan-1-ol

(1S,12R)-bicyclo[10.1.0]tridecan-1-ol (PubChem CID 11095570) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1S,12R)-bicyclo[10.1.0]tridecan-1-ol.

Molecular Properties

Compound Name(1S,12R)-bicyclo[10.1.0]tridecan-1-ol
PubChem CID11095570
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1S,12R)-bicyclo[10.1.0]tridecan-1-ol
SMILESO[C@]12CCCCCCCCCC[C@@H]1C2
InChIInChI=1S/C13H24O/c14-13-10-8-6-4-2-1-3-5-7-9-12(13)11-13/h12,14H,1-11H2/t12-,13+/m1/s1
InChIKeyCOKXSDKPKBYDIG-OLZOCXBDSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,12R)-bicyclo[10.1.0]tridecan-1-ol?
The IUPAC name of (1S,12R)-bicyclo[10.1.0]tridecan-1-ol (CID 11095570) is (1S,12R)-bicyclo[10.1.0]tridecan-1-ol.
What is the SMILES notation for (1S,12R)-bicyclo[10.1.0]tridecan-1-ol?
The canonical SMILES for (1S,12R)-bicyclo[10.1.0]tridecan-1-ol is O[C@]12CCCCCCCCCC[C@@H]1C2.
What is the InChIKey of (1S,12R)-bicyclo[10.1.0]tridecan-1-ol?
The InChIKey is COKXSDKPKBYDIG-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24O/c14-13-10-8-6-4-2-1-3-5-7-9-12(13)11-13/h12,14H,1-11H2/t12-,13+/m1/s1.
What are the key properties of (1S,12R)-bicyclo[10.1.0]tridecan-1-ol?
(1S,12R)-bicyclo[10.1.0]tridecan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-bicyclo[10.1.0]tridecan-1-ol is sourced from PubChem (CID 11095570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).