5-methyl-1-(5-methylhexoxy)hexane

C14H30O — CID 22758033

IUPAC5-methyl-1-(5-methylhexoxy)hexane
SMILESCC(C)CCCCOCCCCC(C)C
InChIInChI=1S/C14H30O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyASLHFPYWDHCVIU-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds10

About 5-methyl-1-(5-methylhexoxy)hexane

5-methyl-1-(5-methylhexoxy)hexane (PubChem CID 22758033) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 5-methyl-1-(5-methylhexoxy)hexane.

Molecular Properties

Compound Name5-methyl-1-(5-methylhexoxy)hexane
PubChem CID22758033
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name5-methyl-1-(5-methylhexoxy)hexane
SMILESCC(C)CCCCOCCCCC(C)C
InChIInChI=1S/C14H30O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyASLHFPYWDHCVIU-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methylhexoxy)hexane?
The IUPAC name of 5-methyl-1-(5-methylhexoxy)hexane (CID 22758033) is 5-methyl-1-(5-methylhexoxy)hexane.
What is the SMILES notation for 5-methyl-1-(5-methylhexoxy)hexane?
The canonical SMILES for 5-methyl-1-(5-methylhexoxy)hexane is CC(C)CCCCOCCCCC(C)C.
What is the InChIKey of 5-methyl-1-(5-methylhexoxy)hexane?
The InChIKey is ASLHFPYWDHCVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-methyl-1-(5-methylhexoxy)hexane?
5-methyl-1-(5-methylhexoxy)hexane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methylhexoxy)hexane is sourced from PubChem (CID 22758033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).