(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane

C12H22O2 — CID 102007923

IUPAC(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
SMILESC[C@@]1(CC2CCCCO2)CCCCO1
InChIInChI=1S/C12H22O2/c1-12(7-3-5-9-14-12)10-11-6-2-4-8-13-11/h11H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyBNSLXHOIIFLJHY-KIYNQFGBSA-N
MW198.31 g/mol
LogP2.90
Rot. Bonds2

About (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane

(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane (PubChem CID 102007923) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane.

Molecular Properties

Compound Name(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
PubChem CID102007923
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
SMILESC[C@@]1(CC2CCCCO2)CCCCO1
InChIInChI=1S/C12H22O2/c1-12(7-3-5-9-14-12)10-11-6-2-4-8-13-11/h11H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyBNSLXHOIIFLJHY-KIYNQFGBSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-2-methyloxolan-2-yl]methyl]oxane
CID 102007919
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
CID 174522535
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169125
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 80683820
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane?
The IUPAC name of (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane (CID 102007923) is (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane.
What is the SMILES notation for (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane?
The canonical SMILES for (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane is C[C@@]1(CC2CCCCO2)CCCCO1.
What is the InChIKey of (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane?
The InChIKey is BNSLXHOIIFLJHY-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(7-3-5-9-14-12)10-11-6-2-4-8-13-11/h11H,2-10H2,1H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane?
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane has a molecular weight of 198.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(oxan-2-ylmethyl)oxane is sourced from PubChem (CID 102007923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).