5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane

C16H34O2 — CID 90783293

IUPAC5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane
SMILESCCC(C)CCCCOC(C)(C)COC(C)(C)C
InChIInChI=1S/C16H34O2/c1-8-14(2)11-9-10-12-17-16(6,7)13-18-15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyBVBKMUSXWRPAPP-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.81
Rot. Bonds9

About 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane

5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane (PubChem CID 90783293) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane.

Molecular Properties

Compound Name5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane
PubChem CID90783293
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane
SMILESCCC(C)CCCCOC(C)(C)COC(C)(C)C
InChIInChI=1S/C16H34O2/c1-8-14(2)11-9-10-12-17-16(6,7)13-18-15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyBVBKMUSXWRPAPP-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane?
The IUPAC name of 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane (CID 90783293) is 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane.
What is the SMILES notation for 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane?
The canonical SMILES for 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane is CCC(C)CCCCOC(C)(C)COC(C)(C)C.
What is the InChIKey of 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane?
The InChIKey is BVBKMUSXWRPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-8-14(2)11-9-10-12-17-16(6,7)13-18-15(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane?
5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane has a molecular weight of 258.45 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane is sourced from PubChem (CID 90783293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).