2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol

C12H24O2 — CID 115823360

IUPAC2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol
SMILESCCC(C)C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24O2/c1-6-7(2)12(13)11-8(3)9(4)14-10(11)5/h7-13H,6H2,1-5H3
InChIKeyXXRXGYAEUCMZER-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol

2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol (PubChem CID 115823360) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol
PubChem CID115823360
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol
SMILESCCC(C)C(O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24O2/c1-6-7(2)12(13)11-8(3)9(4)14-10(11)5/h7-13H,6H2,1-5H3
InChIKeyXXRXGYAEUCMZER-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol (CID 115823360) is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol is CCC(C)C(O)C1C(C)OC(C)C1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol?
The InChIKey is XXRXGYAEUCMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7(2)12(13)11-8(3)9(4)14-10(11)5/h7-13H,6H2,1-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol?
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol is sourced from PubChem (CID 115823360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).