4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol

C17H34O3 — CID 115942468

IUPAC4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(OCCOC(C)(C)C)C1
InChIInChI=1S/C17H34O3/c1-7-17(5,6)13-8-9-14(18)15(12-13)19-10-11-20-16(2,3)4/h13-15,18H,7-12H2,1-6H3
InChIKeyYNNOHZONHGMSGJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol

4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol (PubChem CID 115942468) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
PubChem CID115942468
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(OCCOC(C)(C)C)C1
InChIInChI=1S/C17H34O3/c1-7-17(5,6)13-8-9-14(18)15(12-13)19-10-11-20-16(2,3)4/h13-15,18H,7-12H2,1-6H3
InChIKeyYNNOHZONHGMSGJ-UHFFFAOYSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol (CID 115942468) is 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(OCCOC(C)(C)C)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The InChIKey is YNNOHZONHGMSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-7-17(5,6)13-8-9-14(18)15(12-13)19-10-11-20-16(2,3)4/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol is sourced from PubChem (CID 115942468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).