butan-1-ol;oxolane;propan-2-ol

C11H26O3 — CID 19359235

IUPACbutan-1-ol;oxolane;propan-2-ol
SMILESC1CCOC1.CC(C)O.CCCCO
InChIInChI=1S/C4H8O.C4H10O.C3H8O/c1-2-4-5-3-1;1-2-3-4-5;1-3(2)4/h1-4H2;5H,2-4H2,1H3;3-4H,1-2H3
InChIKeyVESJCUNTFPQNBK-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.96
Rot. Bonds2

About butan-1-ol;oxolane;propan-2-ol

butan-1-ol;oxolane;propan-2-ol (PubChem CID 19359235) has the molecular formula C11H26O3 and a molecular weight of 206.33 g/mol. Its IUPAC name is butan-1-ol;oxolane;propan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;oxolane;propan-2-ol
PubChem CID19359235
Molecular FormulaC11H26O3
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Namebutan-1-ol;oxolane;propan-2-ol
SMILESC1CCOC1.CC(C)O.CCCCO
InChIInChI=1S/C4H8O.C4H10O.C3H8O/c1-2-4-5-3-1;1-2-3-4-5;1-3(2)4/h1-4H2;5H,2-4H2,1H3;3-4H,1-2H3
InChIKeyVESJCUNTFPQNBK-UHFFFAOYSA-N
XLogP1.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;oxolane;propan-2-ol?
The IUPAC name of butan-1-ol;oxolane;propan-2-ol (CID 19359235) is butan-1-ol;oxolane;propan-2-ol.
What is the SMILES notation for butan-1-ol;oxolane;propan-2-ol?
The canonical SMILES for butan-1-ol;oxolane;propan-2-ol is C1CCOC1.CC(C)O.CCCCO.
What is the InChIKey of butan-1-ol;oxolane;propan-2-ol?
The InChIKey is VESJCUNTFPQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H10O.C3H8O/c1-2-4-5-3-1;1-2-3-4-5;1-3(2)4/h1-4H2;5H,2-4H2,1H3;3-4H,1-2H3.
What are the key properties of butan-1-ol;oxolane;propan-2-ol?
butan-1-ol;oxolane;propan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;oxolane;propan-2-ol is sourced from PubChem (CID 19359235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).