1,19-dibutoxynonadecan-10-ol

C27H56O3 — CID 129293593

IUPAC1,19-dibutoxynonadecan-10-ol
SMILESCCCCOCCCCCCCCCC(O)CCCCCCCCCOCCCC
InChIInChI=1S/C27H56O3/c1-3-5-23-29-25-19-15-11-7-9-13-17-21-27(28)22-18-14-10-8-12-16-20-26-30-24-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyUOTCLGDEHUIYQA-UHFFFAOYSA-N
MW428.74 g/mol
LogP8.22
Rot. Bonds26

About 1,19-dibutoxynonadecan-10-ol

1,19-dibutoxynonadecan-10-ol (PubChem CID 129293593) has the molecular formula C27H56O3 and a molecular weight of 428.74 g/mol. Its IUPAC name is 1,19-dibutoxynonadecan-10-ol.

Molecular Properties

Compound Name1,19-dibutoxynonadecan-10-ol
PubChem CID129293593
Molecular FormulaC27H56O3
Molecular Weight428.74 g/mol
Exact Mass428.42
IUPAC Name1,19-dibutoxynonadecan-10-ol
SMILESCCCCOCCCCCCCCCC(O)CCCCCCCCCOCCCC
InChIInChI=1S/C27H56O3/c1-3-5-23-29-25-19-15-11-7-9-13-17-21-27(28)22-18-14-10-8-12-16-20-26-30-24-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyUOTCLGDEHUIYQA-UHFFFAOYSA-N
XLogP8.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 58.22
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

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1-octadecoxyicosan-2-ol
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18-(12-hydroxyoctadecoxy)octadecanoic acid
CID 121473917
28-hydroperoxyoctacosan-13-ol
CID 150235554
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
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CID 88529159

Frequently Asked Questions

What is the IUPAC name of 1,19-dibutoxynonadecan-10-ol?
The IUPAC name of 1,19-dibutoxynonadecan-10-ol (CID 129293593) is 1,19-dibutoxynonadecan-10-ol.
What is the SMILES notation for 1,19-dibutoxynonadecan-10-ol?
The canonical SMILES for 1,19-dibutoxynonadecan-10-ol is CCCCOCCCCCCCCCC(O)CCCCCCCCCOCCCC.
What is the InChIKey of 1,19-dibutoxynonadecan-10-ol?
The InChIKey is UOTCLGDEHUIYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3/c1-3-5-23-29-25-19-15-11-7-9-13-17-21-27(28)22-18-14-10-8-12-16-20-26-30-24-6-4-2/h27-28H,3-26H2,1-2H3.
What are the key properties of 1,19-dibutoxynonadecan-10-ol?
1,19-dibutoxynonadecan-10-ol has a molecular weight of 428.74 g/mol, XLogP of 8.22, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,19-dibutoxynonadecan-10-ol is sourced from PubChem (CID 129293593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).