2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane

C15H28O2 — CID 10857607

IUPAC2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C15H28O2/c1-11(2)13-8-7-12(3)10-14(13)17-15-6-4-5-9-16-15/h11-15H,4-10H2,1-3H3/t12-,13+,14-,15?/m0/s1
InChIKeySXIUOLKDCQDOOM-MBOZISHXSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds3

About 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane

2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane (PubChem CID 10857607) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
PubChem CID10857607
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C15H28O2/c1-11(2)13-8-7-12(3)10-14(13)17-15-6-4-5-9-16-15/h11-15H,4-10H2,1-3H3/t12-,13+,14-,15?/m0/s1
InChIKeySXIUOLKDCQDOOM-MBOZISHXSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
CID 10879776
hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
CID 114471
2-(Methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 11506656
2-(1-Ethoxyethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 13793974
(7R)-2-tert-butyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139467586
(7R)-4,7-dimethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139467856
(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139467916
(7R)-2-ethyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139468035
2-Methoxy-3-(4-propylcyclohexyl)oxane
CID 151018022
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane
CID 11053360
2-(2-Methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 13114598
(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 13114603

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane?
The IUPAC name of 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane (CID 10857607) is 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane.
What is the SMILES notation for 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane?
The canonical SMILES for 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane is CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1CCCCO1.
What is the InChIKey of 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane?
The InChIKey is SXIUOLKDCQDOOM-MBOZISHXSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(2)13-8-7-12(3)10-14(13)17-15-6-4-5-9-16-15/h11-15H,4-10H2,1-3H3/t12-,13+,14-,15?/m0/s1.
What are the key properties of 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane?
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane is sourced from PubChem (CID 10857607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).