trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol

C11H20N4O — CID 95636010

IUPACtrans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)c1nnnn1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H20N4O/c1-11(2,3)10-12-13-14-15(10)8-6-4-5-7-9(8)16/h8-9,16H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFXRPJAKWPOHTHF-IUCAKERBSA-N
MW224.31 g/mol
LogP1.45
Rot. Bonds1

About trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol (PubChem CID 95636010) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol
PubChem CID95636010
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Nametrans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)c1nnnn1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H20N4O/c1-11(2,3)10-12-13-14-15(10)8-6-4-5-7-9(8)16/h8-9,16H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFXRPJAKWPOHTHF-IUCAKERBSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol (CID 95636010) is trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol is CC(C)(C)c1nnnn1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol?
The InChIKey is FXRPJAKWPOHTHF-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)10-12-13-14-15(10)8-6-4-5-7-9(8)16/h8-9,16H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 95636010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).