(6S)-6-methyl-4-oxaspiro[2.5]octane

C8H14O — CID 153270450

IUPAC(6S)-6-methyl-4-oxaspiro[2.5]octane
SMILESC[C@H]1CCC2(CC2)OC1
InChIInChI=1S/C8H14O/c1-7-2-3-8(4-5-8)9-6-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyWXAGVEWVXGVIMY-ZETCQYMHSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About (6S)-6-methyl-4-oxaspiro[2.5]octane

(6S)-6-methyl-4-oxaspiro[2.5]octane (PubChem CID 153270450) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (6S)-6-methyl-4-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(6S)-6-methyl-4-oxaspiro[2.5]octane
PubChem CID153270450
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(6S)-6-methyl-4-oxaspiro[2.5]octane
SMILESC[C@H]1CCC2(CC2)OC1
InChIInChI=1S/C8H14O/c1-7-2-3-8(4-5-8)9-6-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyWXAGVEWVXGVIMY-ZETCQYMHSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(3R)-3-methyl-1-oxaspiro[5.5]undecane
CID 176680246
(1S,7S)-4'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125451798
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
(1S,3'R,4S,7R)-3'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125454992
(1R,7R)-4'-tert-butylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125453967
3-methyl-1-oxa-8-azaspiro[4.5]decane;2-methylpropane
CID 144742113
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
8-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 139991277
3-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167145423

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-4-oxaspiro[2.5]octane?
The IUPAC name of (6S)-6-methyl-4-oxaspiro[2.5]octane (CID 153270450) is (6S)-6-methyl-4-oxaspiro[2.5]octane.
What is the SMILES notation for (6S)-6-methyl-4-oxaspiro[2.5]octane?
The canonical SMILES for (6S)-6-methyl-4-oxaspiro[2.5]octane is C[C@H]1CCC2(CC2)OC1.
What is the InChIKey of (6S)-6-methyl-4-oxaspiro[2.5]octane?
The InChIKey is WXAGVEWVXGVIMY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O/c1-7-2-3-8(4-5-8)9-6-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-methyl-4-oxaspiro[2.5]octane?
(6S)-6-methyl-4-oxaspiro[2.5]octane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-4-oxaspiro[2.5]octane is sourced from PubChem (CID 153270450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).