3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol

C23H48O7 — CID 121265139

IUPAC3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
SMILESCC(C)(CCO)OCCC(C)(C)OCC(O)COC(C)(C)CCOC(C)(C)CCO
InChIInChI=1S/C23H48O7/c1-20(2,9-13-24)27-15-11-22(5,6)29-17-19(26)18-30-23(7,8)12-16-28-21(3,4)10-14-25/h19,24-26H,9-18H2,1-8H3
InChIKeyBATAZOBSFMRSEP-UHFFFAOYSA-N
MW436.63 g/mol
LogP3.07
Rot. Bonds18

About 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol

3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol (PubChem CID 121265139) has the molecular formula C23H48O7 and a molecular weight of 436.63 g/mol. Its IUPAC name is 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
PubChem CID121265139
Molecular FormulaC23H48O7
Molecular Weight436.63 g/mol
Exact Mass436.34
IUPAC Name3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
SMILESCC(C)(CCO)OCCC(C)(C)OCC(O)COC(C)(C)CCOC(C)(C)CCO
InChIInChI=1S/C23H48O7/c1-20(2,9-13-24)27-15-11-22(5,6)29-17-19(26)18-30-23(7,8)12-16-28-21(3,4)10-14-25/h19,24-26H,9-18H2,1-8H3
InChIKeyBATAZOBSFMRSEP-UHFFFAOYSA-N
XLogP3.07
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
CID 87248461
1-[5-[5-[3-[2-hydroxy-3-(2-methylaziridin-1-yl)propoxy]-3-methylbutoxy]-2,5-dimethylhexan-2-yl]oxy-2-methylpentan-2-yl]oxy-3-(2-methylaziridin-1-yl)propan-2-ol
CID 156808054
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol
CID 121263970
2-[3-[2-hydroxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]-3-methylbutoxy]-2,4,4,7-tetramethyloctan-3-one
CID 170259709
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
3-[3-(9-bicyclo[6.1.0]non-4-ynylmethoxy)-3-methylbutoxy]-3-methylbutan-1-ol
CID 123524420
3-methyl-3-[[4-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-6-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]oxy-1,3,5,2,4,6-trioxatriborinan-2-yl]oxy]butan-1-ol
CID 174134115
4-[4-[3-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]propoxy]-4-methylhexoxy]-4-methylpentan-1-ol
CID 134254438
triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate
CID 91305541

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol?
The IUPAC name of 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol (CID 121265139) is 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol?
The canonical SMILES for 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol is CC(C)(CCO)OCCC(C)(C)OCC(O)COC(C)(C)CCOC(C)(C)CCO.
What is the InChIKey of 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol?
The InChIKey is BATAZOBSFMRSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O7/c1-20(2,9-13-24)27-15-11-22(5,6)29-17-19(26)18-30-23(7,8)12-16-28-21(3,4)10-14-25/h19,24-26H,9-18H2,1-8H3.
What are the key properties of 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol?
3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol has a molecular weight of 436.63 g/mol, XLogP of 3.07, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 121265139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).