3,3-dimethyl-4-(2-methylpropyl)oxane

C11H22O — CID 171768959

IUPAC3,3-dimethyl-4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOCC1(C)C
InChIInChI=1S/C11H22O/c1-9(2)7-10-5-6-12-8-11(10,3)4/h9-10H,5-8H2,1-4H3
InChIKeyTYFBVGCTVZUZIH-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.10
Rot. Bonds2

About 3,3-dimethyl-4-(2-methylpropyl)oxane

3,3-dimethyl-4-(2-methylpropyl)oxane (PubChem CID 171768959) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylpropyl)oxane
PubChem CID171768959
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,3-dimethyl-4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOCC1(C)C
InChIInChI=1S/C11H22O/c1-9(2)7-10-5-6-12-8-11(10,3)4/h9-10H,5-8H2,1-4H3
InChIKeyTYFBVGCTVZUZIH-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylpropyl)oxane?
The IUPAC name of 3,3-dimethyl-4-(2-methylpropyl)oxane (CID 171768959) is 3,3-dimethyl-4-(2-methylpropyl)oxane.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylpropyl)oxane?
The canonical SMILES for 3,3-dimethyl-4-(2-methylpropyl)oxane is CC(C)CC1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-methylpropyl)oxane?
The InChIKey is TYFBVGCTVZUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)7-10-5-6-12-8-11(10,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(2-methylpropyl)oxane?
3,3-dimethyl-4-(2-methylpropyl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylpropyl)oxane is sourced from PubChem (CID 171768959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).