2-(2-methylpropyl)oxane

C9H18O — CID 14242125

IUPAC2-(2-methylpropyl)oxane
SMILESCC(C)CC1CCCCO1
InChIInChI=1S/C9H18O/c1-8(2)7-9-5-3-4-6-10-9/h8-9H,3-7H2,1-2H3
InChIKeyDGTFZOUSVFPLJH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-methylpropyl)oxane

2-(2-methylpropyl)oxane (PubChem CID 14242125) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)oxane.

Molecular Properties

Compound Name2-(2-methylpropyl)oxane
PubChem CID14242125
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(2-methylpropyl)oxane
SMILESCC(C)CC1CCCCO1
InChIInChI=1S/C9H18O/c1-8(2)7-9-5-3-4-6-10-9/h8-9H,3-7H2,1-2H3
InChIKeyDGTFZOUSVFPLJH-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)oxane?
The IUPAC name of 2-(2-methylpropyl)oxane (CID 14242125) is 2-(2-methylpropyl)oxane.
What is the SMILES notation for 2-(2-methylpropyl)oxane?
The canonical SMILES for 2-(2-methylpropyl)oxane is CC(C)CC1CCCCO1.
What is the InChIKey of 2-(2-methylpropyl)oxane?
The InChIKey is DGTFZOUSVFPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)7-9-5-3-4-6-10-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)oxane?
2-(2-methylpropyl)oxane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)oxane is sourced from PubChem (CID 14242125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).