1-(oxan-4-yl)undecan-5-ol

C16H32O2 — CID 114191725

IUPAC1-(oxan-4-yl)undecan-5-ol
SMILESCCCCCCC(O)CCCCC1CCOCC1
InChIInChI=1S/C16H32O2/c1-2-3-4-5-9-16(17)10-7-6-8-15-11-13-18-14-12-15/h15-17H,2-14H2,1H3
InChIKeyJAHZMHOAEFHUPE-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.30
Rot. Bonds10

About 1-(oxan-4-yl)undecan-5-ol

1-(oxan-4-yl)undecan-5-ol (PubChem CID 114191725) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)undecan-5-ol.

Molecular Properties

Compound Name1-(oxan-4-yl)undecan-5-ol
PubChem CID114191725
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(oxan-4-yl)undecan-5-ol
SMILESCCCCCCC(O)CCCCC1CCOCC1
InChIInChI=1S/C16H32O2/c1-2-3-4-5-9-16(17)10-7-6-8-15-11-13-18-14-12-15/h15-17H,2-14H2,1H3
InChIKeyJAHZMHOAEFHUPE-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropylundecan-3-ol
CID 115810831
1-cyclopentyldecan-3-ol
CID 115783211
1-(oxan-4-yl)dodecan-5-one
CID 114192976
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
octadecane-8,11-diol
CID 101412726
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)undecan-5-ol?
The IUPAC name of 1-(oxan-4-yl)undecan-5-ol (CID 114191725) is 1-(oxan-4-yl)undecan-5-ol.
What is the SMILES notation for 1-(oxan-4-yl)undecan-5-ol?
The canonical SMILES for 1-(oxan-4-yl)undecan-5-ol is CCCCCCC(O)CCCCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)undecan-5-ol?
The InChIKey is JAHZMHOAEFHUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-9-16(17)10-7-6-8-15-11-13-18-14-12-15/h15-17H,2-14H2,1H3.
What are the key properties of 1-(oxan-4-yl)undecan-5-ol?
1-(oxan-4-yl)undecan-5-ol has a molecular weight of 256.43 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)undecan-5-ol is sourced from PubChem (CID 114191725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).