1-(3-methylbutoxy)hexane

C11H24O — CID 23119235

IUPAC1-(3-methylbutoxy)hexane
SMILESCCCCCCOCCC(C)C
InChIInChI=1S/C11H24O/c1-4-5-6-7-9-12-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeyCKVNAXPXAFKRRI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds8

About 1-(3-methylbutoxy)hexane

1-(3-methylbutoxy)hexane (PubChem CID 23119235) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-(3-methylbutoxy)hexane.

Molecular Properties

Compound Name1-(3-methylbutoxy)hexane
PubChem CID23119235
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-(3-methylbutoxy)hexane
SMILESCCCCCCOCCC(C)C
InChIInChI=1S/C11H24O/c1-4-5-6-7-9-12-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeyCKVNAXPXAFKRRI-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl hexyl ether
CID 111843
Dihexyl ether
CID 8198
Hexane, 1-(pentyloxy)-
CID 36108
Butyl hexyl ether
CID 108598
1-Propoxyhexane
CID 111844
3-(Butoxymethyl)heptane
CID 522064
Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
2-Ethyl-1-hexanol, methyl ether
CID 14795002
Hexyl t-butyl ether
CID 547839
2-Methylpropyl pentyl ether
CID 18988496
Hexyl 2-methylpropyl ether
CID 19911674

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)hexane?
The IUPAC name of 1-(3-methylbutoxy)hexane (CID 23119235) is 1-(3-methylbutoxy)hexane.
What is the SMILES notation for 1-(3-methylbutoxy)hexane?
The canonical SMILES for 1-(3-methylbutoxy)hexane is CCCCCCOCCC(C)C.
What is the InChIKey of 1-(3-methylbutoxy)hexane?
The InChIKey is CKVNAXPXAFKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-5-6-7-9-12-10-8-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)hexane?
1-(3-methylbutoxy)hexane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)hexane is sourced from PubChem (CID 23119235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).