2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane

C16H30O3 — CID 67096167

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCOCC
InChIInChI=1S/C16H30O3/c1-5-17-8-9-18-10-11-19-16-12-14(4)6-7-15(16)13(2)3/h14-16H,2,5-12H2,1,3-4H3
InChIKeyYFESMBZIRNJFTM-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.44
Rot. Bonds9

About 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane

2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane (PubChem CID 67096167) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
PubChem CID67096167
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCOCC
InChIInChI=1S/C16H30O3/c1-5-17-8-9-18-10-11-19-16-12-14(4)6-7-15(16)13(2)3/h14-16H,2,5-12H2,1,3-4H3
InChIKeyYFESMBZIRNJFTM-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.44
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-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096057
4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
CID 67096274
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
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
3-(2-butoxyethoxy)-2-ethoxycyclobutan-1-ol
CID 104675355
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 175050176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane (CID 67096167) is 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)CC1OCCOCCOCC.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The InChIKey is YFESMBZIRNJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-17-8-9-18-10-11-19-16-12-14(4)6-7-15(16)13(2)3/h14-16H,2,5-12H2,1,3-4H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane has a molecular weight of 270.41 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 67096167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).