4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane

C20H38O3 — CID 67096274

IUPAC4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCCCOC(C)(C)C
InChIInChI=1S/C20H38O3/c1-16(2)18-10-9-17(3)15-19(18)22-14-13-21-11-7-8-12-23-20(4,5)6/h17-19H,1,7-15H2,2-6H3
InChIKeyZPIDHYXCAIFGMG-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.00
Rot. Bonds10

About 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane

4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane (PubChem CID 67096274) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
PubChem CID67096274
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCCCOC(C)(C)C
InChIInChI=1S/C20H38O3/c1-16(2)18-10-9-17(3)15-19(18)22-14-13-21-11-7-8-12-23-20(4,5)6/h17-19H,1,7-15H2,2-6H3
InChIKeyZPIDHYXCAIFGMG-UHFFFAOYSA-N
XLogP5.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096167
2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096057
2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
CID 91389809
4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane
CID 67096330
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
CID 4077517
3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 112588812
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane (CID 67096274) is 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)CC1OCCOCCCCOC(C)(C)C.
What is the InChIKey of 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane?
The InChIKey is ZPIDHYXCAIFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-16(2)18-10-9-17(3)15-19(18)22-14-13-21-11-7-8-12-23-20(4,5)6/h17-19H,1,7-15H2,2-6H3.
What are the key properties of 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane?
4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane has a molecular weight of 326.52 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 67096274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).