3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane

C15H28O2 — CID 71100932

IUPAC3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane
SMILESCC1(C)OCCCC1CC1CCCOC1(C)C
InChIInChI=1S/C15H28O2/c1-14(2)12(7-5-9-16-14)11-13-8-6-10-17-15(13,3)4/h12-13H,5-11H2,1-4H3
InChIKeyOCYLERVHWIMARU-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.79
Rot. Bonds2

About 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane

3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane (PubChem CID 71100932) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane.

Molecular Properties

Compound Name3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane
PubChem CID71100932
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane
SMILESCC1(C)OCCCC1CC1CCCOC1(C)C
InChIInChI=1S/C15H28O2/c1-14(2)12(7-5-9-16-14)11-13-8-6-10-17-15(13,3)4/h12-13H,5-11H2,1-4H3
InChIKeyOCYLERVHWIMARU-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-5-methyl-1,7-dioxaspiro[5.5]undecane
CID 11062843
3,3,9,9-Tetramethyl-2,8-dioxaspiro[5.5]undecane
CID 101413103
(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane
CID 153270904
2-Methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane
CID 155027210
2-[(1R)-1-(oxan-2-yl)ethyl]-4-propan-2-yloxane
CID 156263125
(2s,4r,6r,8s)-Trimethyl-1,7-dioxaspiro[5.5]undecane
CID 129820578
(4S,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane
CID 134965330
(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane
CID 134965360
(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane
CID 134986769
(1S,3S,5R)-3-ethoxy-1-methyl-5-propan-2-yl-9-oxabicyclo[3.3.1]nonane
CID 135043201
(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 12705593
CID 12705597
CID 12705597

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane?
The IUPAC name of 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane (CID 71100932) is 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane.
What is the SMILES notation for 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane?
The canonical SMILES for 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane is CC1(C)OCCCC1CC1CCCOC1(C)C.
What is the InChIKey of 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane?
The InChIKey is OCYLERVHWIMARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-14(2)12(7-5-9-16-14)11-13-8-6-10-17-15(13,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane?
3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane has a molecular weight of 240.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyloxan-3-yl)methyl]-2,2-dimethyloxane is sourced from PubChem (CID 71100932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).