ethoxyethane;1-(2-methylbutoxy)tetracosane

C33H70O2 — CID 166757399

IUPACethoxyethane;1-(2-methylbutoxy)tetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOCC(C)CC.CCOCC
InChIInChI=1S/C29H60O.C4H10O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28-29(3)5-2;1-3-5-4-2/h29H,4-28H2,1-3H3;3-4H2,1-2H3
InChIKeyJLMNSSGEUIJCQQ-UHFFFAOYSA-N
MW498.92 g/mol
LogP11.69
Rot. Bonds28

About ethoxyethane;1-(2-methylbutoxy)tetracosane

ethoxyethane;1-(2-methylbutoxy)tetracosane (PubChem CID 166757399) has the molecular formula C33H70O2 and a molecular weight of 498.92 g/mol. Its IUPAC name is ethoxyethane;1-(2-methylbutoxy)tetracosane.

Molecular Properties

Compound Nameethoxyethane;1-(2-methylbutoxy)tetracosane
PubChem CID166757399
Molecular FormulaC33H70O2
Molecular Weight498.92 g/mol
Exact Mass498.54
IUPAC Nameethoxyethane;1-(2-methylbutoxy)tetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOCC(C)CC.CCOCC
InChIInChI=1S/C29H60O.C4H10O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28-29(3)5-2;1-3-5-4-2/h29H,4-28H2,1-3H3;3-4H2,1-2H3
InChIKeyJLMNSSGEUIJCQQ-UHFFFAOYSA-N
XLogP11.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxydodecane;3-methylheptane
CID 174412934
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
2-methyl-3-undecoxypropan-1-ol
CID 138675065
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(Z)-1-(2,6-dimethyloctoxy)octadec-9-ene
CID 166045726
2-methyl-3-pentoxypropan-1-ol
CID 56616960
1-(2-ethylbutoxy)decane
CID 22002893
6-[(2S)-2-methylbutoxy]hexylcyclopropane
CID 167130776
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
(3S)-4-hexoxy-3-methylbutanal
CID 59869392
(2S)-1-octoxypropan-2-ol
CID 55250295

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-(2-methylbutoxy)tetracosane?
The IUPAC name of ethoxyethane;1-(2-methylbutoxy)tetracosane (CID 166757399) is ethoxyethane;1-(2-methylbutoxy)tetracosane.
What is the SMILES notation for ethoxyethane;1-(2-methylbutoxy)tetracosane?
The canonical SMILES for ethoxyethane;1-(2-methylbutoxy)tetracosane is CCCCCCCCCCCCCCCCCCCCCCCCOCC(C)CC.CCOCC.
What is the InChIKey of ethoxyethane;1-(2-methylbutoxy)tetracosane?
The InChIKey is JLMNSSGEUIJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O.C4H10O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28-29(3)5-2;1-3-5-4-2/h29H,4-28H2,1-3H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-(2-methylbutoxy)tetracosane?
ethoxyethane;1-(2-methylbutoxy)tetracosane has a molecular weight of 498.92 g/mol, XLogP of 11.69, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-(2-methylbutoxy)tetracosane is sourced from PubChem (CID 166757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).