butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane

C16H34O8 — CID 87459792

IUPACbutanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC(O)COC(C)CO.O=C(O)CCC(=O)O
InChIInChI=1S/C6H14O3.C6H14O.C4H6O4/c1-5(8)4-9-6(2)3-7;1-5(2)7-6(3)4;5-3(6)1-2-4(7)8/h5-8H,3-4H2,1-2H3;5-6H,1-4H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyGFVFBQYNQJSQIF-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.52
Rot. Bonds9

About butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane

butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane (PubChem CID 87459792) has the molecular formula C16H34O8 and a molecular weight of 354.44 g/mol. Its IUPAC name is butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane.

Molecular Properties

Compound Namebutanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
PubChem CID87459792
Molecular FormulaC16H34O8
Molecular Weight354.44 g/mol
Exact Mass354.23
IUPAC Namebutanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC(O)COC(C)CO.O=C(O)CCC(=O)O
InChIInChI=1S/C6H14O3.C6H14O.C4H6O4/c1-5(8)4-9-6(2)3-7;1-5(2)7-6(3)4;5-3(6)1-2-4(7)8/h5-8H,3-4H2,1-2H3;5-6H,1-4H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyGFVFBQYNQJSQIF-UHFFFAOYSA-N
XLogP1.52
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
acetic acid;butanoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 87075600
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
CID 121268166
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;6-methylheptanoic acid
CID 88717716
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane?
The IUPAC name of butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane (CID 87459792) is butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane.
What is the SMILES notation for butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane?
The canonical SMILES for butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane is CC(C)OC(C)C.CC(O)COC(C)CO.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane?
The InChIKey is GFVFBQYNQJSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H14O.C4H6O4/c1-5(8)4-9-6(2)3-7;1-5(2)7-6(3)4;5-3(6)1-2-4(7)8/h5-8H,3-4H2,1-2H3;5-6H,1-4H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane?
butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane has a molecular weight of 354.44 g/mol, XLogP of 1.52, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane is sourced from PubChem (CID 87459792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).