4-(3,3-dimethylbutan-2-yl)oxane

C11H22O — CID 58260872

IUPAC4-(3,3-dimethylbutan-2-yl)oxane
SMILESCC(C1CCOCC1)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(11(2,3)4)10-5-7-12-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyCPAHPWWSQMFVCE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.10
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)oxane

4-(3,3-dimethylbutan-2-yl)oxane (PubChem CID 58260872) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)oxane.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)oxane
PubChem CID58260872
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-(3,3-dimethylbutan-2-yl)oxane
SMILESCC(C1CCOCC1)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(11(2,3)4)10-5-7-12-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyCPAHPWWSQMFVCE-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

4-(3,3,4,4-tetramethylpentan-2-yl)oxane
CID 178120185
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
CID 115920350
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
CID 71102045
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)oxane?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)oxane (CID 58260872) is 4-(3,3-dimethylbutan-2-yl)oxane.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)oxane?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)oxane is CC(C1CCOCC1)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)oxane?
The InChIKey is CPAHPWWSQMFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(11(2,3)4)10-5-7-12-8-6-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)oxane?
4-(3,3-dimethylbutan-2-yl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)oxane is sourced from PubChem (CID 58260872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).