1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol

C14H26N4O — CID 107046399

IUPAC1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H26N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-12,19H,5-9H2,1-4H3
InChIKeyFMYQGYZOPOERJB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107046399) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107046399
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H26N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-12,19H,5-9H2,1-4H3
InChIKeyFMYQGYZOPOERJB-UHFFFAOYSA-N
XLogP1.97
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047858
1-(3-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047864
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 164653633
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107047954
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053537

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107046399) is 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is FMYQGYZOPOERJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107046399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).