2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol

C24H48O4 — CID 130308388

IUPAC2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)COC1CCC(OCC(CC)(CO)CCCC)CC1
InChIInChI=1S/C24H48O4/c1-5-9-15-23(7-3,17-25)19-27-21-11-13-22(14-12-21)28-20-24(8-4,18-26)16-10-6-2/h21-22,25-26H,5-20H2,1-4H3
InChIKeyLWFVFTXLZJQHQE-UHFFFAOYSA-N
MW400.64 g/mol
LogP5.49
Rot. Bonds16

About 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol

2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol (PubChem CID 130308388) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
PubChem CID130308388
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Name2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)COC1CCC(OCC(CC)(CO)CCCC)CC1
InChIInChI=1S/C24H48O4/c1-5-9-15-23(7-3,17-25)19-27-21-11-13-22(14-12-21)28-20-24(8-4,18-26)16-10-6-2/h21-22,25-26H,5-20H2,1-4H3
InChIKeyLWFVFTXLZJQHQE-UHFFFAOYSA-N
XLogP5.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol with MolForge

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Related Compounds

2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
CID 146506376
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-[[4-[2-(hydroxymethyl)-2-methylpentoxy]cyclohexyl]oxymethyl]-2-methylpentan-1-ol
CID 130308391
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol (CID 130308388) is 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol is CCCCC(CC)(CO)COC1CCC(OCC(CC)(CO)CCCC)CC1.
What is the InChIKey of 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol?
The InChIKey is LWFVFTXLZJQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4/c1-5-9-15-23(7-3,17-25)19-27-21-11-13-22(14-12-21)28-20-24(8-4,18-26)16-10-6-2/h21-22,25-26H,5-20H2,1-4H3.
What are the key properties of 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol?
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol has a molecular weight of 400.64 g/mol, XLogP of 5.49, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol is sourced from PubChem (CID 130308388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).