1,3-di(butan-2-yloxy)propan-2-ol

C11H24O3 — CID 22072723

IUPAC1,3-di(butan-2-yloxy)propan-2-ol
SMILESCCC(C)OCC(O)COC(C)CC
InChIInChI=1S/C11H24O3/c1-5-9(3)13-7-11(12)8-14-10(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeySSKIXOJMLYEQJO-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.98
Rot. Bonds8

About 1,3-di(butan-2-yloxy)propan-2-ol

1,3-di(butan-2-yloxy)propan-2-ol (PubChem CID 22072723) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,3-di(butan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,3-di(butan-2-yloxy)propan-2-ol
PubChem CID22072723
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1,3-di(butan-2-yloxy)propan-2-ol
SMILESCCC(C)OCC(O)COC(C)CC
InChIInChI=1S/C11H24O3/c1-5-9(3)13-7-11(12)8-14-10(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeySSKIXOJMLYEQJO-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
CID 59844255
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
2-butan-2-yloxybutane;ethanol
CID 88614162
1-butan-2-yloxypropan-2-yl formate
CID 139655513

Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yloxy)propan-2-ol?
The IUPAC name of 1,3-di(butan-2-yloxy)propan-2-ol (CID 22072723) is 1,3-di(butan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1,3-di(butan-2-yloxy)propan-2-ol?
The canonical SMILES for 1,3-di(butan-2-yloxy)propan-2-ol is CCC(C)OCC(O)COC(C)CC.
What is the InChIKey of 1,3-di(butan-2-yloxy)propan-2-ol?
The InChIKey is SSKIXOJMLYEQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-9(3)13-7-11(12)8-14-10(4)6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,3-di(butan-2-yloxy)propan-2-ol?
1,3-di(butan-2-yloxy)propan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yloxy)propan-2-ol is sourced from PubChem (CID 22072723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).