4-(1-cyclohexyltetrazol-5-yl)butan-1-ol

C11H20N4O — CID 57162499

IUPAC4-(1-cyclohexyltetrazol-5-yl)butan-1-ol
SMILESOCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c16-9-5-4-8-11-12-13-14-15(11)10-6-2-1-3-7-10/h10,16H,1-9H2
InChIKeyCCXYPBJNXJZNTI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.49
Rot. Bonds5

About 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol

4-(1-cyclohexyltetrazol-5-yl)butan-1-ol (PubChem CID 57162499) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-cyclohexyltetrazol-5-yl)butan-1-ol
PubChem CID57162499
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(1-cyclohexyltetrazol-5-yl)butan-1-ol
SMILESOCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c16-9-5-4-8-11-12-13-14-15(11)10-6-2-1-3-7-10/h10,16H,1-9H2
InChIKeyCCXYPBJNXJZNTI-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-Tert-butyltetrazol-1-yl)cyclohexan-1-ol
CID 56795238
(1-Cyclohexyltetrazol-5-yl)methanol
CID 13789292
2-(1-Cyclohexyltetrazol-5-yl)ethanol
CID 21460051
O-ethyl 4-(1-cyclohexyltetrazol-5-yl)butanethioate
CID 53730587
O-methyl 4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanethioate
CID 53914851
O-methyl 4-(1-cyclohexyltetrazol-5-yl)butanethioate
CID 54179515
3-[1-(Cyclohexylmethyl)tetrazol-5-yl]propan-1-ol
CID 66596787
6-(5-Ethyltetrazol-1-yl)hexan-1-ol
CID 139697698
6-(5-Methyltetrazol-1-yl)hexan-1-ol
CID 139697702
4-(1-Cyclohexyltetrazol-5-yl)butyl hydrogen sulfate
CID 168158845
cis-(1S,2R)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol
CID 95636009
trans-(1S,2S)-2-(5-tert-butyltetrazol-1-yl)cyclohexan-1-ol
CID 95636010

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol?
The IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol (CID 57162499) is 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol is OCCCCc1nnnn1C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol?
The InChIKey is CCXYPBJNXJZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c16-9-5-4-8-11-12-13-14-15(11)10-6-2-1-3-7-10/h10,16H,1-9H2.
What are the key properties of 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol?
4-(1-cyclohexyltetrazol-5-yl)butan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyltetrazol-5-yl)butan-1-ol is sourced from PubChem (CID 57162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).