[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol

C17H34O3 — CID 103415215

IUPAC[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
SMILESCOCCOCCCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34O3/c1-16(2,3)15-6-9-17(14-18,10-7-15)8-5-11-20-13-12-19-4/h15,18H,5-14H2,1-4H3
InChIKeyLBMLWGPIOLZGML-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.64
Rot. Bonds8

About [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol

[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol (PubChem CID 103415215) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
PubChem CID103415215
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
SMILESCOCCOCCCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34O3/c1-16(2,3)15-6-9-17(14-18,10-7-15)8-5-11-20-13-12-19-4/h15,18H,5-14H2,1-4H3
InChIKeyLBMLWGPIOLZGML-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexyl]methanol
CID 103184925
(4-tert-butyl-1-octylcyclohexyl)methanol
CID 66026572
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane
CID 13257942
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-(bromomethyl)-4-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexane
CID 103415388
1-[4-tert-butyl-1-(hydroxymethyl)cyclohexyl]propan-2-ol
CID 13229863

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol?
The IUPAC name of [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol (CID 103415215) is [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol.
What is the SMILES notation for [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol?
The canonical SMILES for [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol is COCCOCCCC1(CO)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol?
The InChIKey is LBMLWGPIOLZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-16(2,3)15-6-9-17(14-18,10-7-15)8-5-11-20-13-12-19-4/h15,18H,5-14H2,1-4H3.
What are the key properties of [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol?
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol has a molecular weight of 286.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol is sourced from PubChem (CID 103415215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).