2-(2,3-dimethylbutyl)oxane

C11H22O — CID 167069415

IUPAC2-(2,3-dimethylbutyl)oxane
SMILESCC(C)C(C)CC1CCCCO1
InChIInChI=1S/C11H22O/c1-9(2)10(3)8-11-6-4-5-7-12-11/h9-11H,4-8H2,1-3H3
InChIKeyOOJSMVIWQDALEE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds3

About 2-(2,3-dimethylbutyl)oxane

2-(2,3-dimethylbutyl)oxane (PubChem CID 167069415) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)oxane.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)oxane
PubChem CID167069415
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-(2,3-dimethylbutyl)oxane
SMILESCC(C)C(C)CC1CCCCO1
InChIInChI=1S/C11H22O/c1-9(2)10(3)8-11-6-4-5-7-12-11/h9-11H,4-8H2,1-3H3
InChIKeyOOJSMVIWQDALEE-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-methylpropyl)oxane
CID 58653197
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614
[3,3-dimethyl-1-(oxan-2-yl)butan-2-yl]hydrazine
CID 105267531
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
2-(oxan-2-ylmethyl)oxane
CID 67860654
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
CID 54185574

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)oxane?
The IUPAC name of 2-(2,3-dimethylbutyl)oxane (CID 167069415) is 2-(2,3-dimethylbutyl)oxane.
What is the SMILES notation for 2-(2,3-dimethylbutyl)oxane?
The canonical SMILES for 2-(2,3-dimethylbutyl)oxane is CC(C)C(C)CC1CCCCO1.
What is the InChIKey of 2-(2,3-dimethylbutyl)oxane?
The InChIKey is OOJSMVIWQDALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)10(3)8-11-6-4-5-7-12-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbutyl)oxane?
2-(2,3-dimethylbutyl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)oxane is sourced from PubChem (CID 167069415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).