4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene

C16H31O3+ — CID 90706279

IUPAC4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene
SMILESC=CCC(C[CH2+])COCCOCCOCC(C)CC
InChIInChI=1S/C16H31O3/c1-5-8-16(7-3)14-19-12-10-17-9-11-18-13-15(4)6-2/h5,15-16H,1,3,6-14H2,2,4H3/q+1
InChIKeyXUUZKYVFKDKBHT-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.50
Rot. Bonds14

About 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene

4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene (PubChem CID 90706279) has the molecular formula C16H31O3+ and a molecular weight of 271.42 g/mol. Its IUPAC name is 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene.

Molecular Properties

Compound Name4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene
PubChem CID90706279
Molecular FormulaC16H31O3+
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene
SMILESC=CCC(C[CH2+])COCCOCCOCC(C)CC
InChIInChI=1S/C16H31O3/c1-5-8-16(7-3)14-19-12-10-17-9-11-18-13-15(4)6-2/h5,15-16H,1,3,6-14H2,2,4H3/q+1
InChIKeyXUUZKYVFKDKBHT-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diallylethylether
CID 129722376
4,4-Bis(2-ethoxyethoxymethyl)-1,6-heptadiene
CID 129851480
4,4-Bis{2-(2-ethoxyethoxy)ethoxymethyl}-1,6-heptadiene
CID 129851487
1,4,7,10,13,16-Hexaoxanonadecane, 18-(2-propenyl)-
CID 542435
4-Methoxy-4-(methoxymethyl)hepta-1,6-diene
CID 10535163
4-[[3-[2,3-Bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene
CID 23572288
4-[2-(2-Ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene
CID 23572289
5-[2-(2-Ethylhex-5-enoxy)ethoxymethyl]hept-1-ene
CID 23572294
5-(Propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
CID 23572296
4-[2-(3-Prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene
CID 57284381
4-(2-Ethylpent-4-enoxymethyl)hex-1-ene
CID 88202218
4-(Methoxymethyl)hex-1-ene
CID 90913092

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene?
The IUPAC name of 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene (CID 90706279) is 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene.
What is the SMILES notation for 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene?
The canonical SMILES for 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene is C=CCC(C[CH2+])COCCOCCOCC(C)CC.
What is the InChIKey of 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene?
The InChIKey is XUUZKYVFKDKBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O3/c1-5-8-16(7-3)14-19-12-10-17-9-11-18-13-15(4)6-2/h5,15-16H,1,3,6-14H2,2,4H3/q+1.
What are the key properties of 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene?
4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene has a molecular weight of 271.42 g/mol, XLogP of 3.50, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene is sourced from PubChem (CID 90706279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).