1-(4-methoxyoxan-4-yl)undecan-1-ol

C17H34O3 — CID 116753924

IUPAC1-(4-methoxyoxan-4-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1(OC)CCOCC1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-16(18)17(19-2)12-14-20-15-13-17/h16,18H,3-15H2,1-2H3
InChIKeyIOZOHMFXMSIIDH-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.07
Rot. Bonds11

About 1-(4-methoxyoxan-4-yl)undecan-1-ol

1-(4-methoxyoxan-4-yl)undecan-1-ol (PubChem CID 116753924) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)undecan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)undecan-1-ol
PubChem CID116753924
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name1-(4-methoxyoxan-4-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1(OC)CCOCC1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-16(18)17(19-2)12-14-20-15-13-17/h16,18H,3-15H2,1-2H3
InChIKeyIOZOHMFXMSIIDH-UHFFFAOYSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.07
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)nonan-1-ol
CID 116754253
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
CID 116754069
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
CID 79137738
1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
CID 116753892
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)undecan-1-ol?
The IUPAC name of 1-(4-methoxyoxan-4-yl)undecan-1-ol (CID 116753924) is 1-(4-methoxyoxan-4-yl)undecan-1-ol.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)undecan-1-ol?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)undecan-1-ol is CCCCCCCCCCC(O)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)undecan-1-ol?
The InChIKey is IOZOHMFXMSIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-16(18)17(19-2)12-14-20-15-13-17/h16,18H,3-15H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)undecan-1-ol?
1-(4-methoxyoxan-4-yl)undecan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)undecan-1-ol is sourced from PubChem (CID 116753924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).