2-methyl-3-(2-methylpropyl)oxane

C10H20O — CID 67691431

IUPAC2-methyl-3-(2-methylpropyl)oxane
SMILESCC(C)CC1CCCOC1C
InChIInChI=1S/C10H20O/c1-8(2)7-10-5-4-6-11-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeySEAICFRQYGNQAB-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-3-(2-methylpropyl)oxane

2-methyl-3-(2-methylpropyl)oxane (PubChem CID 67691431) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)oxane.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)oxane
PubChem CID67691431
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methyl-3-(2-methylpropyl)oxane
SMILESCC(C)CC1CCCOC1C
InChIInChI=1S/C10H20O/c1-8(2)7-10-5-4-6-11-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeySEAICFRQYGNQAB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)oxane?
The IUPAC name of 2-methyl-3-(2-methylpropyl)oxane (CID 67691431) is 2-methyl-3-(2-methylpropyl)oxane.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)oxane?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)oxane is CC(C)CC1CCCOC1C.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)oxane?
The InChIKey is SEAICFRQYGNQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)7-10-5-4-6-11-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropyl)oxane?
2-methyl-3-(2-methylpropyl)oxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)oxane is sourced from PubChem (CID 67691431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).