5,5-dibutoxynonane

C17H36O2 — CID 89440038

IUPAC5,5-dibutoxynonane
SMILESCCCCOC(CCCC)(CCCC)OCCCC
InChIInChI=1S/C17H36O2/c1-5-9-13-17(14-10-6-2,18-15-11-7-3)19-16-12-8-4/h5-16H2,1-4H3
InChIKeyNENFPOXMWXGHKF-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.70
Rot. Bonds14

About 5,5-dibutoxynonane

5,5-dibutoxynonane (PubChem CID 89440038) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 5,5-dibutoxynonane.

Molecular Properties

Compound Name5,5-dibutoxynonane
PubChem CID89440038
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name5,5-dibutoxynonane
SMILESCCCCOC(CCCC)(CCCC)OCCCC
InChIInChI=1S/C17H36O2/c1-5-9-13-17(14-10-6-2,18-15-11-7-3)19-16-12-8-4/h5-16H2,1-4H3
InChIKeyNENFPOXMWXGHKF-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
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

4,4-dipentoxytridecane
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10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
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5-methoxy-5-pentoxytetradecane
CID 161410500
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
3-butoxy-3-ethyloctane
CID 156635634
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
5,5-bis(methylperoxy)nonane
CID 11830978

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutoxynonane?
The IUPAC name of 5,5-dibutoxynonane (CID 89440038) is 5,5-dibutoxynonane.
What is the SMILES notation for 5,5-dibutoxynonane?
The canonical SMILES for 5,5-dibutoxynonane is CCCCOC(CCCC)(CCCC)OCCCC.
What is the InChIKey of 5,5-dibutoxynonane?
The InChIKey is NENFPOXMWXGHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-5-9-13-17(14-10-6-2,18-15-11-7-3)19-16-12-8-4/h5-16H2,1-4H3.
What are the key properties of 5,5-dibutoxynonane?
5,5-dibutoxynonane has a molecular weight of 272.47 g/mol, XLogP of 5.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutoxynonane is sourced from PubChem (CID 89440038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).