4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol

C16H30O6 — CID 5242237

IUPAC4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)OCCOC(O)C2CCC(O)CC2)CC1
InChIInChI=1S/C16H30O6/c17-13-5-1-11(2-6-13)15(19)21-9-10-22-16(20)12-3-7-14(18)8-4-12/h11-20H,1-10H2
InChIKeyXSUBDVGFTHLIGF-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.76
Rot. Bonds7

About 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol

4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol (PubChem CID 5242237) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol
PubChem CID5242237
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)OCCOC(O)C2CCC(O)CC2)CC1
InChIInChI=1S/C16H30O6/c17-13-5-1-11(2-6-13)15(19)21-9-10-22-16(20)12-3-7-14(18)8-4-12/h11-20H,1-10H2
InChIKeyXSUBDVGFTHLIGF-UHFFFAOYSA-N
XLogP0.76
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butoxy(cyclohexyl)methanol
CID 89347064
4-propan-2-ylcyclohexan-1-ol
CID 159817143
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
cyclohexane-1,4-diol
CID 11162
4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
CID 138556605
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
4-(diiodomethyl)cyclohexan-1-ol
CID 89029318
4-[1-(methylamino)propyl]cyclohexan-1-ol
CID 116956981
cyclopentyl(prop-2-enoxy)methanol
CID 163201000
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
cyclohexane-1,4-diol;hydrochloride
CID 141062883
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol (CID 5242237) is 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol is OC1CCC(C(O)OCCOC(O)C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol?
The InChIKey is XSUBDVGFTHLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c17-13-5-1-11(2-6-13)15(19)21-9-10-22-16(20)12-3-7-14(18)8-4-12/h11-20H,1-10H2.
What are the key properties of 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol?
4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol has a molecular weight of 318.41 g/mol, XLogP of 0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[2-[hydroxy-(4-hydroxycyclohexyl)methoxy]ethoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 5242237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).