1-(2,5-dimethylhexan-2-yloxy)propan-2-ol

C11H24O2 — CID 142712433

IUPAC1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
SMILESCC(C)CCC(C)(C)OCC(C)O
InChIInChI=1S/C11H24O2/c1-9(2)6-7-11(4,5)13-8-10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyHFNREOWXZZWTEH-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds6

About 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol

1-(2,5-dimethylhexan-2-yloxy)propan-2-ol (PubChem CID 142712433) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
PubChem CID142712433
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
SMILESCC(C)CCC(C)(C)OCC(C)O
InChIInChI=1S/C11H24O2/c1-9(2)6-7-11(4,5)13-8-10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyHFNREOWXZZWTEH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol (CID 142712433) is 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol is CC(C)CCC(C)(C)OCC(C)O.
What is the InChIKey of 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol?
The InChIKey is HFNREOWXZZWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)6-7-11(4,5)13-8-10(3)12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol?
1-(2,5-dimethylhexan-2-yloxy)propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexan-2-yloxy)propan-2-ol is sourced from PubChem (CID 142712433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).