4,4-dimethyl-2-propoxyhexane

C11H24O — CID 20674251

IUPAC4,4-dimethyl-2-propoxyhexane
SMILESCCCOC(C)CC(C)(C)CC
InChIInChI=1S/C11H24O/c1-6-8-12-10(3)9-11(4,5)7-2/h10H,6-9H2,1-5H3
InChIKeyQLUYIONFTZSFDT-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 4,4-dimethyl-2-propoxyhexane

4,4-dimethyl-2-propoxyhexane (PubChem CID 20674251) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-propoxyhexane.

Molecular Properties

Compound Name4,4-dimethyl-2-propoxyhexane
PubChem CID20674251
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,4-dimethyl-2-propoxyhexane
SMILESCCCOC(C)CC(C)(C)CC
InChIInChI=1S/C11H24O/c1-6-8-12-10(3)9-11(4,5)7-2/h10H,6-9H2,1-5H3
InChIKeyQLUYIONFTZSFDT-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propoxyhexane?
The IUPAC name of 4,4-dimethyl-2-propoxyhexane (CID 20674251) is 4,4-dimethyl-2-propoxyhexane.
What is the SMILES notation for 4,4-dimethyl-2-propoxyhexane?
The canonical SMILES for 4,4-dimethyl-2-propoxyhexane is CCCOC(C)CC(C)(C)CC.
What is the InChIKey of 4,4-dimethyl-2-propoxyhexane?
The InChIKey is QLUYIONFTZSFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-8-12-10(3)9-11(4,5)7-2/h10H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-propoxyhexane?
4,4-dimethyl-2-propoxyhexane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propoxyhexane is sourced from PubChem (CID 20674251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).