2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

C17H38O5 — CID 87745303

IUPAC2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCC(C)OC(C)CC
InChIInChI=1S/C9H20O4.C8H18O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-5-7(3)9-8(4)6-2/h7-11H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3
InChIKeyOHTGDMKNXOHPFY-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.77
Rot. Bonds11

About 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 87745303) has the molecular formula C17H38O5 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID87745303
Molecular FormulaC17H38O5
Molecular Weight322.49 g/mol
Exact Mass322.27
IUPAC Name2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCC(C)OC(C)CC
InChIInChI=1S/C9H20O4.C8H18O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-5-7(3)9-8(4)6-2/h7-11H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3
InChIKeyOHTGDMKNXOHPFY-UHFFFAOYSA-N
XLogP2.77
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
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
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]propan-1-ol
CID 22051694
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-ethoxy-2-(2-ethoxypropoxy)propane;2-(2-hydroxypropoxy)propan-1-ol
CID 157472623
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 87745303) is 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)COC(C)COC(C)CO.CCC(C)OC(C)CC.
What is the InChIKey of 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is OHTGDMKNXOHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C8H18O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-5-7(3)9-8(4)6-2/h7-11H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 322.49 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 87745303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).