4-tert-butyl-2-octoxycyclohexan-1-ol

C18H36O2 — CID 63465404

IUPAC4-tert-butyl-2-octoxycyclohexan-1-ol
SMILESCCCCCCCCOC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H36O2/c1-5-6-7-8-9-10-13-20-17-14-15(18(2,3)4)11-12-16(17)19/h15-17,19H,5-14H2,1-4H3
InChIKeyFSSQLRWGTHNHAN-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.94
Rot. Bonds8

About 4-tert-butyl-2-octoxycyclohexan-1-ol

4-tert-butyl-2-octoxycyclohexan-1-ol (PubChem CID 63465404) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 4-tert-butyl-2-octoxycyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-octoxycyclohexan-1-ol
PubChem CID63465404
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name4-tert-butyl-2-octoxycyclohexan-1-ol
SMILESCCCCCCCCOC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H36O2/c1-5-6-7-8-9-10-13-20-17-14-15(18(2,3)4)11-12-16(17)19/h15-17,19H,5-14H2,1-4H3
InChIKeyFSSQLRWGTHNHAN-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-octoxycyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-octoxycyclohexan-1-ol (CID 63465404) is 4-tert-butyl-2-octoxycyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-octoxycyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-octoxycyclohexan-1-ol is CCCCCCCCOC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-octoxycyclohexan-1-ol?
The InChIKey is FSSQLRWGTHNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-5-6-7-8-9-10-13-20-17-14-15(18(2,3)4)11-12-16(17)19/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 4-tert-butyl-2-octoxycyclohexan-1-ol?
4-tert-butyl-2-octoxycyclohexan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-octoxycyclohexan-1-ol is sourced from PubChem (CID 63465404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).