8-hexoxyoxecan-3-ol

C15H30O3 — CID 173215315

IUPAC8-hexoxyoxecan-3-ol
SMILESCCCCCCOC1CCCCC(O)COCC1
InChIInChI=1S/C15H30O3/c1-2-3-4-7-11-18-15-9-6-5-8-14(16)13-17-12-10-15/h14-16H,2-13H2,1H3
InChIKeyYDJFDXXDXGBYEB-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.29
Rot. Bonds6

About 8-hexoxyoxecan-3-ol

8-hexoxyoxecan-3-ol (PubChem CID 173215315) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 8-hexoxyoxecan-3-ol.

Molecular Properties

Compound Name8-hexoxyoxecan-3-ol
PubChem CID173215315
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name8-hexoxyoxecan-3-ol
SMILESCCCCCCOC1CCCCC(O)COCC1
InChIInChI=1S/C15H30O3/c1-2-3-4-7-11-18-15-9-6-5-8-14(16)13-17-12-10-15/h14-16H,2-13H2,1H3
InChIKeyYDJFDXXDXGBYEB-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.29
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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CID 3681
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Octyl-sepharose CL-4B
CID 112041
1-O-Dodecylglycerol
CID 97774
1-Propanol, 2-(dodecyloxy)-
CID 9834713
1-O-palmityl-2-O-methyl-sn-glycerol
CID 10936445
1-O-octadecyl-sn-glycerol
CID 10860876
(2R)-3-octoxypropane-1,2-diol
CID 446473
Glyceryl Capryl Ether
CID 139152
3-(Icosyloxy)propane-1,2-diol
CID 18373709

Frequently Asked Questions

What is the IUPAC name of 8-hexoxyoxecan-3-ol?
The IUPAC name of 8-hexoxyoxecan-3-ol (CID 173215315) is 8-hexoxyoxecan-3-ol.
What is the SMILES notation for 8-hexoxyoxecan-3-ol?
The canonical SMILES for 8-hexoxyoxecan-3-ol is CCCCCCOC1CCCCC(O)COCC1.
What is the InChIKey of 8-hexoxyoxecan-3-ol?
The InChIKey is YDJFDXXDXGBYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-2-3-4-7-11-18-15-9-6-5-8-14(16)13-17-12-10-15/h14-16H,2-13H2,1H3.
What are the key properties of 8-hexoxyoxecan-3-ol?
8-hexoxyoxecan-3-ol has a molecular weight of 258.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexoxyoxecan-3-ol is sourced from PubChem (CID 173215315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).