2-butoxy-5-ethyl-2,5,6-trimethyloctane

C17H36O — CID 91518034

IUPAC2-butoxy-5-ethyl-2,5,6-trimethyloctane
SMILESCCCCOC(C)(C)CCC(C)(CC)C(C)CC
InChIInChI=1S/C17H36O/c1-8-11-14-18-16(5,6)12-13-17(7,10-3)15(4)9-2/h15H,8-14H2,1-7H3
InChIKeyNAGXPHBZLDSWTH-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.82
Rot. Bonds10

About 2-butoxy-5-ethyl-2,5,6-trimethyloctane

2-butoxy-5-ethyl-2,5,6-trimethyloctane (PubChem CID 91518034) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 2-butoxy-5-ethyl-2,5,6-trimethyloctane.

Molecular Properties

Compound Name2-butoxy-5-ethyl-2,5,6-trimethyloctane
PubChem CID91518034
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name2-butoxy-5-ethyl-2,5,6-trimethyloctane
SMILESCCCCOC(C)(C)CCC(C)(CC)C(C)CC
InChIInChI=1S/C17H36O/c1-8-11-14-18-16(5,6)12-13-17(7,10-3)15(4)9-2/h15H,8-14H2,1-7H3
InChIKeyNAGXPHBZLDSWTH-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.82
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

2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
2-dodecoxy-2-methyltetradecane
CID 158074564
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
CID 123491559
2-methyl-2-propoxyhexane
CID 91043348
7-butoxy-1-chloro-7-methyloctane
CID 166130931
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
3-butoxy-3-methylpentan-2-ol
CID 175045885
2-butoxy-2-propan-2-yloxybutane
CID 174800754
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-ethyl-2,5,6-trimethyloctane?
The IUPAC name of 2-butoxy-5-ethyl-2,5,6-trimethyloctane (CID 91518034) is 2-butoxy-5-ethyl-2,5,6-trimethyloctane.
What is the SMILES notation for 2-butoxy-5-ethyl-2,5,6-trimethyloctane?
The canonical SMILES for 2-butoxy-5-ethyl-2,5,6-trimethyloctane is CCCCOC(C)(C)CCC(C)(CC)C(C)CC.
What is the InChIKey of 2-butoxy-5-ethyl-2,5,6-trimethyloctane?
The InChIKey is NAGXPHBZLDSWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-8-11-14-18-16(5,6)12-13-17(7,10-3)15(4)9-2/h15H,8-14H2,1-7H3.
What are the key properties of 2-butoxy-5-ethyl-2,5,6-trimethyloctane?
2-butoxy-5-ethyl-2,5,6-trimethyloctane has a molecular weight of 256.47 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-ethyl-2,5,6-trimethyloctane is sourced from PubChem (CID 91518034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).