6-butoxy-4-methyl-2-propan-2-yloxyoctane

C16H34O2 — CID 57198332

IUPAC6-butoxy-4-methyl-2-propan-2-yloxyoctane
SMILESCCCCOC(CC)CC(C)CC(C)OC(C)C
InChIInChI=1S/C16H34O2/c1-7-9-10-17-16(8-2)12-14(5)11-15(6)18-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMGTYEHAZFZMCKB-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.81
Rot. Bonds11

About 6-butoxy-4-methyl-2-propan-2-yloxyoctane

6-butoxy-4-methyl-2-propan-2-yloxyoctane (PubChem CID 57198332) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 6-butoxy-4-methyl-2-propan-2-yloxyoctane.

Molecular Properties

Compound Name6-butoxy-4-methyl-2-propan-2-yloxyoctane
PubChem CID57198332
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name6-butoxy-4-methyl-2-propan-2-yloxyoctane
SMILESCCCCOC(CC)CC(C)CC(C)OC(C)C
InChIInChI=1S/C16H34O2/c1-7-9-10-17-16(8-2)12-14(5)11-15(6)18-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMGTYEHAZFZMCKB-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-butoxy-4-methyl-2-propan-2-yloxyoctane?
The IUPAC name of 6-butoxy-4-methyl-2-propan-2-yloxyoctane (CID 57198332) is 6-butoxy-4-methyl-2-propan-2-yloxyoctane.
What is the SMILES notation for 6-butoxy-4-methyl-2-propan-2-yloxyoctane?
The canonical SMILES for 6-butoxy-4-methyl-2-propan-2-yloxyoctane is CCCCOC(CC)CC(C)CC(C)OC(C)C.
What is the InChIKey of 6-butoxy-4-methyl-2-propan-2-yloxyoctane?
The InChIKey is MGTYEHAZFZMCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-9-10-17-16(8-2)12-14(5)11-15(6)18-13(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 6-butoxy-4-methyl-2-propan-2-yloxyoctane?
6-butoxy-4-methyl-2-propan-2-yloxyoctane has a molecular weight of 258.45 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-methyl-2-propan-2-yloxyoctane is sourced from PubChem (CID 57198332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).