9-(2-methoxyethoxymethyl)nonadecan-9-ol

C23H48O3 — CID 86033712

IUPAC9-(2-methoxyethoxymethyl)nonadecan-9-ol
SMILESCCCCCCCCCCC(O)(CCCCCCCC)COCCOC
InChIInChI=1S/C23H48O3/c1-4-6-8-10-12-13-15-17-19-23(24,22-26-21-20-25-3)18-16-14-11-9-7-5-2/h24H,4-22H2,1-3H3
InChIKeySQTWNGUARLZFRX-UHFFFAOYSA-N
MW372.63 g/mol
LogP6.66
Rot. Bonds21

About 9-(2-methoxyethoxymethyl)nonadecan-9-ol

9-(2-methoxyethoxymethyl)nonadecan-9-ol (PubChem CID 86033712) has the molecular formula C23H48O3 and a molecular weight of 372.63 g/mol. Its IUPAC name is 9-(2-methoxyethoxymethyl)nonadecan-9-ol.

Molecular Properties

Compound Name9-(2-methoxyethoxymethyl)nonadecan-9-ol
PubChem CID86033712
Molecular FormulaC23H48O3
Molecular Weight372.63 g/mol
Exact Mass372.36
IUPAC Name9-(2-methoxyethoxymethyl)nonadecan-9-ol
SMILESCCCCCCCCCCC(O)(CCCCCCCC)COCCOC
InChIInChI=1S/C23H48O3/c1-4-6-8-10-12-13-15-17-19-23(24,22-26-21-20-25-3)18-16-14-11-9-7-5-2/h24H,4-22H2,1-3H3
InChIKeySQTWNGUARLZFRX-UHFFFAOYSA-N
XLogP6.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
2-[[2-hydroxy-2-(hydroxymethyl)icosoxy]methyl]icosane-1,2-diol
CID 87690691
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682
5-amino-1-methoxy-2-(propoxymethyl)pentan-2-ol
CID 103391312
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethoxymethyl)nonadecan-9-ol?
The IUPAC name of 9-(2-methoxyethoxymethyl)nonadecan-9-ol (CID 86033712) is 9-(2-methoxyethoxymethyl)nonadecan-9-ol.
What is the SMILES notation for 9-(2-methoxyethoxymethyl)nonadecan-9-ol?
The canonical SMILES for 9-(2-methoxyethoxymethyl)nonadecan-9-ol is CCCCCCCCCCC(O)(CCCCCCCC)COCCOC.
What is the InChIKey of 9-(2-methoxyethoxymethyl)nonadecan-9-ol?
The InChIKey is SQTWNGUARLZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3/c1-4-6-8-10-12-13-15-17-19-23(24,22-26-21-20-25-3)18-16-14-11-9-7-5-2/h24H,4-22H2,1-3H3.
What are the key properties of 9-(2-methoxyethoxymethyl)nonadecan-9-ol?
9-(2-methoxyethoxymethyl)nonadecan-9-ol has a molecular weight of 372.63 g/mol, XLogP of 6.66, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethoxymethyl)nonadecan-9-ol is sourced from PubChem (CID 86033712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).