6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol

C18H36O4 — CID 54433069

IUPAC6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
SMILESOCCCCCCOC1CCC(OCCCCCCO)CC1
InChIInChI=1S/C18H36O4/c19-13-5-1-3-7-15-21-17-9-11-18(12-10-17)22-16-8-4-2-6-14-20/h17-20H,1-16H2
InChIKeyWIWBFBHGJOACBD-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.44
Rot. Bonds14

About 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol

6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol (PubChem CID 54433069) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
PubChem CID54433069
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
SMILESOCCCCCCOC1CCC(OCCCCCCO)CC1
InChIInChI=1S/C18H36O4/c19-13-5-1-3-7-15-21-17-9-11-18(12-10-17)22-16-8-4-2-6-14-20/h17-20H,1-16H2
InChIKeyWIWBFBHGJOACBD-UHFFFAOYSA-N
XLogP3.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyloxypropan-1-ol
CID 66696145
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
4-(3-hydroxypropoxy)cyclohexane-1-carboxylic acid
CID 70832253
4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
CID 58375966
6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol
CID 107704344
3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
CID 138483628
(1R,2R,4S,5R)-6-(4-hydroxybutoxy)cyclohexane-1,2,3,4,5-pentol
CID 90887918
heptoxycyclopropane
CID 54099544
3-(3-aminocyclopentyl)oxypropan-1-ol
CID 106938667
4-[4-[hydroxy-[4-[hydroxy-[4-[4-(1-hydroxyethoxy)butoxy]cyclohexyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]oxybutan-1-ol
CID 129093885

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol?
The IUPAC name of 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol (CID 54433069) is 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol.
What is the SMILES notation for 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol?
The canonical SMILES for 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol is OCCCCCCOC1CCC(OCCCCCCO)CC1.
What is the InChIKey of 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol?
The InChIKey is WIWBFBHGJOACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c19-13-5-1-3-7-15-21-17-9-11-18(12-10-17)22-16-8-4-2-6-14-20/h17-20H,1-16H2.
What are the key properties of 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol?
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol has a molecular weight of 316.48 g/mol, XLogP of 3.44, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol is sourced from PubChem (CID 54433069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).