4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

C10H22O — CID 22151667

IUPAC4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)CCCOC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2)7-6-8-11-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyHJUXKAYLXYLTFI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 22151667) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID22151667
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)CCCOC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2)7-6-8-11-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyHJUXKAYLXYLTFI-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
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 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (CID 22151667) is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is CC(C)CCCOC(C)(C)C.
What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is HJUXKAYLXYLTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-9(2)7-6-8-11-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 22151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).