2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol

C14H30O6 — CID 23391634

IUPAC2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol
SMILESCCC(COCC(C)O)(COCC(C)O)OC(C)CO
InChIInChI=1S/C14H30O6/c1-5-14(20-13(4)6-15,9-18-7-11(2)16)10-19-8-12(3)17/h11-13,15-17H,5-10H2,1-4H3
InChIKeyOPQZOACJEROCHX-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.33
Rot. Bonds12

About 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol

2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol (PubChem CID 23391634) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol
PubChem CID23391634
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol
SMILESCCC(COCC(C)O)(COCC(C)O)OC(C)CO
InChIInChI=1S/C14H30O6/c1-5-14(20-13(4)6-15,9-18-7-11(2)16)10-19-8-12(3)17/h11-13,15-17H,5-10H2,1-4H3
InChIKeyOPQZOACJEROCHX-UHFFFAOYSA-N
XLogP0.33
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Dipropylene Glycol
CID 134692469
1-Propanol, 2-(2-(2-methoxypropoxy)propoxy)-
CID 25054
Dibuprol
CID 16669
Polyglycerin-3
CID 92007
3-Butoxy-1,2-propanediol
CID 263027
2-Propanol, 1-(2-(2-butoxy-1-methylethoxy)-1-methylethoxy)-
CID 3044557
Tetrapropylene glycol
CID 91234
Terbuprol
CID 3084129
2-(2-(2-Methoxy-1-methyl-ethoxy)-1-methyl-ethoxy)propan-1-OL
CID 33023
2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol
CID 32611
(2S)-2-butoxybutan-1-ol
CID 21225521
(3,3-Dimethyloxiran-2-yl)methanol
CID 167724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol?
The IUPAC name of 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol (CID 23391634) is 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol.
What is the SMILES notation for 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol?
The canonical SMILES for 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol is CCC(COCC(C)O)(COCC(C)O)OC(C)CO.
What is the InChIKey of 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol?
The InChIKey is OPQZOACJEROCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-5-14(20-13(4)6-15,9-18-7-11(2)16)10-19-8-12(3)17/h11-13,15-17H,5-10H2,1-4H3.
What are the key properties of 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol?
2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 0.33, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)butan-2-yl]oxypropan-1-ol is sourced from PubChem (CID 23391634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).