2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane

C16H34O2 — CID 57180763

IUPAC2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane
SMILESCC(C)CC(C)OCCCCOC(C)CC(C)C
InChIInChI=1S/C16H34O2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMMNNFRMBRXEEFR-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.67
Rot. Bonds11

About 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane

2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane (PubChem CID 57180763) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane
PubChem CID57180763
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane
SMILESCC(C)CC(C)OCCCCOC(C)CC(C)C
InChIInChI=1S/C16H34O2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMMNNFRMBRXEEFR-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane?
The IUPAC name of 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane (CID 57180763) is 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane?
The canonical SMILES for 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane is CC(C)CC(C)OCCCCOC(C)CC(C)C.
What is the InChIKey of 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane?
The InChIKey is MMNNFRMBRXEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-13(2)11-15(5)17-9-7-8-10-18-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane?
2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane has a molecular weight of 258.45 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane is sourced from PubChem (CID 57180763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).