(7S)-7-methyl-4-oxaspiro[2.5]octane

C8H14O — CID 139336511

IUPAC(7S)-7-methyl-4-oxaspiro[2.5]octane
SMILESC[C@H]1CCOC2(CC2)C1
InChIInChI=1S/C8H14O/c1-7-2-5-9-8(6-7)3-4-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeySGNJXMKKBSLVJR-ZETCQYMHSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About (7S)-7-methyl-4-oxaspiro[2.5]octane

(7S)-7-methyl-4-oxaspiro[2.5]octane (PubChem CID 139336511) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (7S)-7-methyl-4-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(7S)-7-methyl-4-oxaspiro[2.5]octane
PubChem CID139336511
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(7S)-7-methyl-4-oxaspiro[2.5]octane
SMILESC[C@H]1CCOC2(CC2)C1
InChIInChI=1S/C8H14O/c1-7-2-5-9-8(6-7)3-4-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeySGNJXMKKBSLVJR-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

4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
ethane;1-(8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;1-[(8R)-8-methyl-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 169125493
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
2,2-dimethoxy-4-methyloxane
CID 13134669
(6S)-6-methyl-4-oxaspiro[2.5]octane
CID 153270450
3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
CID 79912664
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-4-oxaspiro[2.5]octane?
The IUPAC name of (7S)-7-methyl-4-oxaspiro[2.5]octane (CID 139336511) is (7S)-7-methyl-4-oxaspiro[2.5]octane.
What is the SMILES notation for (7S)-7-methyl-4-oxaspiro[2.5]octane?
The canonical SMILES for (7S)-7-methyl-4-oxaspiro[2.5]octane is C[C@H]1CCOC2(CC2)C1.
What is the InChIKey of (7S)-7-methyl-4-oxaspiro[2.5]octane?
The InChIKey is SGNJXMKKBSLVJR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O/c1-7-2-5-9-8(6-7)3-4-8/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (7S)-7-methyl-4-oxaspiro[2.5]octane?
(7S)-7-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 (7S)-7-methyl-4-oxaspiro[2.5]octane is sourced from PubChem (CID 139336511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).