2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate

C23H46O8 — CID 58444916

IUPAC2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C23H46O8/c1-9-16(2)23(25)31-15-22(8)30-14-21(7)29-13-20(6)28-12-19(5)27-11-18(4)26-10-17(3)24/h16-22,24H,9-15H2,1-8H3
InChIKeyBQNWRWNFLWZEBZ-UHFFFAOYSA-N
MW450.61 g/mol
LogP2.98
Rot. Bonds19

About 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate

2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate (PubChem CID 58444916) has the molecular formula C23H46O8 and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
PubChem CID58444916
Molecular FormulaC23H46O8
Molecular Weight450.61 g/mol
Exact Mass450.32
IUPAC Name2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C23H46O8/c1-9-16(2)23(25)31-15-22(8)30-14-21(7)29-13-20(6)28-12-19(5)27-11-18(4)26-10-17(3)24/h16-22,24H,9-15H2,1-8H3
InChIKeyBQNWRWNFLWZEBZ-UHFFFAOYSA-N
XLogP2.98
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate with MolForge

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Related Compounds

2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
2-phosphonooxypropyl 2-methylbutanoate
CID 170143581
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate?
The IUPAC name of 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate (CID 58444916) is 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate is CCC(C)C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate?
The InChIKey is BQNWRWNFLWZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O8/c1-9-16(2)23(25)31-15-22(8)30-14-21(7)29-13-20(6)28-12-19(5)27-11-18(4)26-10-17(3)24/h16-22,24H,9-15H2,1-8H3.
What are the key properties of 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate?
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate has a molecular weight of 450.61 g/mol, XLogP of 2.98, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate is sourced from PubChem (CID 58444916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).