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

C15H28O3 — CID 67096057

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCOC
InChIInChI=1S/C15H28O3/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17-8-7-16-4/h13-15H,1,5-11H2,2-4H3
InChIKeyBHZNLJACTQSWNH-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.05
Rot. Bonds8

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

2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane (PubChem CID 67096057) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
PubChem CID67096057
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1OCCOCCOC
InChIInChI=1S/C15H28O3/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17-8-7-16-4/h13-15H,1,5-11H2,2-4H3
InChIKeyBHZNLJACTQSWNH-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.05
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
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-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
CID 104564712
2-ethoxy-3-[2-(2-methoxyethoxy)ethoxy]cyclobutan-1-amine
CID 104676703
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
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-ol
CID 103176139

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane (CID 67096057) is 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)CC1OCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
The InChIKey is BHZNLJACTQSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17-8-7-16-4/h13-15H,1,5-11H2,2-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane?
2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane has a molecular weight of 256.39 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 67096057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).