1-(17-methyloctadecoxy)ethanol

C21H44O2 — CID 87458732

IUPAC1-(17-methyloctadecoxy)ethanol
SMILESCC(C)CCCCCCCCCCCCCCCCOC(C)O
InChIInChI=1S/C21H44O2/c1-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23-21(3)22/h20-22H,4-19H2,1-3H3
InChIKeyAIFUTKALZBUUKQ-UHFFFAOYSA-N
MW328.58 g/mol
LogP6.85
Rot. Bonds18

About 1-(17-methyloctadecoxy)ethanol

1-(17-methyloctadecoxy)ethanol (PubChem CID 87458732) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-(17-methyloctadecoxy)ethanol.

Molecular Properties

Compound Name1-(17-methyloctadecoxy)ethanol
PubChem CID87458732
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name1-(17-methyloctadecoxy)ethanol
SMILESCC(C)CCCCCCCCCCCCCCCCOC(C)O
InChIInChI=1S/C21H44O2/c1-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23-21(3)22/h20-22H,4-19H2,1-3H3
InChIKeyAIFUTKALZBUUKQ-UHFFFAOYSA-N
XLogP6.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-heptacontoxyethanol
CID 169098461
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
1-hydroperoxy-6-methylheptane
CID 87470675
1-pentoxyethanol
CID 19598527
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-(4-iodobutoxy)ethanol
CID 174760093
(2R,3R)-12-methyl-4-(8-methylnonoxy)tridecane-1,2,3-triol
CID 91120456
2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
CID 172703318
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983

Frequently Asked Questions

What is the IUPAC name of 1-(17-methyloctadecoxy)ethanol?
The IUPAC name of 1-(17-methyloctadecoxy)ethanol (CID 87458732) is 1-(17-methyloctadecoxy)ethanol.
What is the SMILES notation for 1-(17-methyloctadecoxy)ethanol?
The canonical SMILES for 1-(17-methyloctadecoxy)ethanol is CC(C)CCCCCCCCCCCCCCCCOC(C)O.
What is the InChIKey of 1-(17-methyloctadecoxy)ethanol?
The InChIKey is AIFUTKALZBUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23-21(3)22/h20-22H,4-19H2,1-3H3.
What are the key properties of 1-(17-methyloctadecoxy)ethanol?
1-(17-methyloctadecoxy)ethanol has a molecular weight of 328.58 g/mol, XLogP of 6.85, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(17-methyloctadecoxy)ethanol is sourced from PubChem (CID 87458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).