2-[(1S,2S)-2-methylcyclohexyl]oxyoxane

C12H22O2 — CID 10104198

IUPAC2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
SMILESC[C@H]1CCCC[C@@H]1OC1CCCCO1
InChIInChI=1S/C12H22O2/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m0/s1
InChIKeyNIWZTJLOWWFSIZ-NDQFZYFBSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds2

About 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane

2-[(1S,2S)-2-methylcyclohexyl]oxyoxane (PubChem CID 10104198) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
PubChem CID10104198
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
SMILESC[C@H]1CCCC[C@@H]1OC1CCCCO1
InChIInChI=1S/C12H22O2/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m0/s1
InChIKeyNIWZTJLOWWFSIZ-NDQFZYFBSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
2-cycloheptyloxyoxane
CID 11735764
N,N-dimethyl-1-[2-(oxan-2-yloxy)cyclopropyl]methanamine
CID 22325111
2-methoxyoxepane
CID 24974084
2-(oxetan-3-yloxy)oxane
CID 54083112
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane
CID 11036058
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 59018729

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane?
The IUPAC name of 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane (CID 10104198) is 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane.
What is the SMILES notation for 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane?
The canonical SMILES for 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane is C[C@H]1CCCC[C@@H]1OC1CCCCO1.
What is the InChIKey of 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane?
The InChIKey is NIWZTJLOWWFSIZ-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H22O2/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane?
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-methylcyclohexyl]oxyoxane is sourced from PubChem (CID 10104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).