(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane

C10H18O2 — CID 134995727

IUPAC(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane
SMILESCO[C@H]1CCCC[C@]12CCCO2
InChIInChI=1S/C10H18O2/c1-11-9-5-2-3-6-10(9)7-4-8-12-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyJFJODWVFHZYNPG-UWVGGRQHSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds1

About (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane

(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane (PubChem CID 134995727) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane
PubChem CID134995727
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane
SMILESCO[C@H]1CCCC[C@]12CCCO2
InChIInChI=1S/C10H18O2/c1-11-9-5-2-3-6-10(9)7-4-8-12-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyJFJODWVFHZYNPG-UWVGGRQHSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-6-methoxy-1-oxaspiro[4.5]decane
CID 14905700
3-Methoxy-1-oxaspiro[4.5]decane
CID 51358007
2,5-Dimethyl-2-(2-tetrahydrofuryl)tetrahydrofuran
CID 567156
1-Oxaspiro[4.5]decan-6-ol
CID 12931507
2-Methyl-1-oxaspiro[4.5]decan-6-ol
CID 22395766
2-(Methoxymethyl)-5-(1-methylcyclohexyl)oxolane
CID 23594562
(2R,4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane
CID 58779310
2-(1-Methoxycyclopentyl)oxolane
CID 59169327
(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 59918570
1-Oxaspiro[4.5]decan-6-yl acetate
CID 67155692
2-Methyl-2-(oxolan-2-yl)oxolane
CID 68347636
(4S)-4-methyl-2-[(2S)-oxolan-2-yl]oxane
CID 68372273

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane (CID 134995727) is (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane is CO[C@H]1CCCC[C@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane?
The InChIKey is JFJODWVFHZYNPG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-9-5-2-3-6-10(9)7-4-8-12-10/h9H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane?
(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-1-oxaspiro[4.5]decane is sourced from PubChem (CID 134995727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).