3-methyl-2,6-di(propan-2-yl)oxane

C12H24O — CID 144905870

IUPAC3-methyl-2,6-di(propan-2-yl)oxane
SMILESCC(C)C1CCC(C)C(C(C)C)O1
InChIInChI=1S/C12H24O/c1-8(2)11-7-6-10(5)12(13-11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyIQGZOANBASTXLN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds2

About 3-methyl-2,6-di(propan-2-yl)oxane

3-methyl-2,6-di(propan-2-yl)oxane (PubChem CID 144905870) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methyl-2,6-di(propan-2-yl)oxane.

Molecular Properties

Compound Name3-methyl-2,6-di(propan-2-yl)oxane
PubChem CID144905870
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methyl-2,6-di(propan-2-yl)oxane
SMILESCC(C)C1CCC(C)C(C(C)C)O1
InChIInChI=1S/C12H24O/c1-8(2)11-7-6-10(5)12(13-11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyIQGZOANBASTXLN-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
ethene;3-methyl-6-propan-2-yloxan-2-ol
CID 143052735
2,6-di(propan-2-yl)oxane
CID 58987631
2-(1-bromoethyl)-5-propan-2-yloxolane
CID 71321882
(2S)-2-methyl-6-propan-2-yloxane
CID 118613314
[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
CID 88887587
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-di(propan-2-yl)oxane?
The IUPAC name of 3-methyl-2,6-di(propan-2-yl)oxane (CID 144905870) is 3-methyl-2,6-di(propan-2-yl)oxane.
What is the SMILES notation for 3-methyl-2,6-di(propan-2-yl)oxane?
The canonical SMILES for 3-methyl-2,6-di(propan-2-yl)oxane is CC(C)C1CCC(C)C(C(C)C)O1.
What is the InChIKey of 3-methyl-2,6-di(propan-2-yl)oxane?
The InChIKey is IQGZOANBASTXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8(2)11-7-6-10(5)12(13-11)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-methyl-2,6-di(propan-2-yl)oxane?
3-methyl-2,6-di(propan-2-yl)oxane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-di(propan-2-yl)oxane is sourced from PubChem (CID 144905870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).