1-(4-ethoxyoxan-4-yl)nonan-1-ol

C16H32O3 — CID 116754253

IUPAC1-(4-ethoxyoxan-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)C1(OCC)CCOCC1
InChIInChI=1S/C16H32O3/c1-3-5-6-7-8-9-10-15(17)16(19-4-2)11-13-18-14-12-16/h15,17H,3-14H2,1-2H3
InChIKeyBPJSFJFEBORTHB-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.68
Rot. Bonds10

About 1-(4-ethoxyoxan-4-yl)nonan-1-ol

1-(4-ethoxyoxan-4-yl)nonan-1-ol (PubChem CID 116754253) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)nonan-1-ol
PubChem CID116754253
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name1-(4-ethoxyoxan-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)C1(OCC)CCOCC1
InChIInChI=1S/C16H32O3/c1-3-5-6-7-8-9-10-15(17)16(19-4-2)11-13-18-14-12-16/h15,17H,3-14H2,1-2H3
InChIKeyBPJSFJFEBORTHB-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.68
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-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
CID 116754270
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
CID 79137738
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 116754334
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)nonan-1-ol?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)nonan-1-ol (CID 116754253) is 1-(4-ethoxyoxan-4-yl)nonan-1-ol.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)nonan-1-ol?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)nonan-1-ol is CCCCCCCCC(O)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)nonan-1-ol?
The InChIKey is BPJSFJFEBORTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-3-5-6-7-8-9-10-15(17)16(19-4-2)11-13-18-14-12-16/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)nonan-1-ol?
1-(4-ethoxyoxan-4-yl)nonan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)nonan-1-ol is sourced from PubChem (CID 116754253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).