3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol

C24H50O7 — CID 21495812

IUPAC3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
SMILESCC(O)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)O
InChIInChI=1S/C24H50O7/c1-13(25)15(3)27-17(5)19(7)29-21(9)23(11)31-24(12)22(10)30-20(8)18(6)28-16(4)14(2)26/h13-26H,1-12H3
InChIKeyLOQMZUVMLUNCKG-UHFFFAOYSA-N
MW450.66 g/mol
LogP3.72
Rot. Bonds16

About 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol

3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol (PubChem CID 21495812) has the molecular formula C24H50O7 and a molecular weight of 450.66 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol.

Molecular Properties

Compound Name3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
PubChem CID21495812
Molecular FormulaC24H50O7
Molecular Weight450.66 g/mol
Exact Mass450.36
IUPAC Name3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
SMILESCC(O)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)O
InChIInChI=1S/C24H50O7/c1-13(25)15(3)27-17(5)19(7)29-21(9)23(11)31-24(12)22(10)30-20(8)18(6)28-16(4)14(2)26/h13-26H,1-12H3
InChIKeyLOQMZUVMLUNCKG-UHFFFAOYSA-N
XLogP3.72
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol with MolForge

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Related Compounds

2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
CID 20556668
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
3-hydroxybutan-2-yl carbamate
CID 20700654
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697
deuterium monohydride;3-methoxybutan-2-ol;phosphane
CID 157416424
(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
CID 160617536

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol?
The IUPAC name of 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol (CID 21495812) is 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol.
What is the SMILES notation for 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol?
The canonical SMILES for 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol is CC(O)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)O.
What is the InChIKey of 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol?
The InChIKey is LOQMZUVMLUNCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O7/c1-13(25)15(3)27-17(5)19(7)29-21(9)23(11)31-24(12)22(10)30-20(8)18(6)28-16(4)14(2)26/h13-26H,1-12H3.
What are the key properties of 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol?
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol has a molecular weight of 450.66 g/mol, XLogP of 3.72, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol is sourced from PubChem (CID 21495812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).