1-ethoxy-17-methyloctadecane

C21H44O — CID 91042875

IUPAC1-ethoxy-17-methyloctadecane
SMILESCCOCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H44O/c1-4-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(2)3/h21H,4-20H2,1-3H3
InChIKeyGGXQYYKWAYSZQH-UHFFFAOYSA-N
MW312.58 g/mol
LogP7.53
Rot. Bonds18

About 1-ethoxy-17-methyloctadecane

1-ethoxy-17-methyloctadecane (PubChem CID 91042875) has the molecular formula C21H44O and a molecular weight of 312.58 g/mol. Its IUPAC name is 1-ethoxy-17-methyloctadecane.

Molecular Properties

Compound Name1-ethoxy-17-methyloctadecane
PubChem CID91042875
Molecular FormulaC21H44O
Molecular Weight312.58 g/mol
Exact Mass312.34
IUPAC Name1-ethoxy-17-methyloctadecane
SMILESCCOCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H44O/c1-4-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(2)3/h21H,4-20H2,1-3H3
InChIKeyGGXQYYKWAYSZQH-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.58
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
5-chloro-1-ethoxyhexane
CID 64515389
1-ethylperoxy-14-methylpentadecane
CID 175001574
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
1-(methoxymethoxy)-6-methylheptane
CID 54450331
7-methyloctyl 2-ethoxyacetate
CID 175943194

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-17-methyloctadecane?
The IUPAC name of 1-ethoxy-17-methyloctadecane (CID 91042875) is 1-ethoxy-17-methyloctadecane.
What is the SMILES notation for 1-ethoxy-17-methyloctadecane?
The canonical SMILES for 1-ethoxy-17-methyloctadecane is CCOCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 1-ethoxy-17-methyloctadecane?
The InChIKey is GGXQYYKWAYSZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O/c1-4-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(2)3/h21H,4-20H2,1-3H3.
What are the key properties of 1-ethoxy-17-methyloctadecane?
1-ethoxy-17-methyloctadecane has a molecular weight of 312.58 g/mol, XLogP of 7.53, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-17-methyloctadecane is sourced from PubChem (CID 91042875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).