4-methyl-1-oxaspiro[4.4]nonane

C9H16O — CID 101047494

IUPAC4-methyl-1-oxaspiro[4.4]nonane
SMILESCC1CCOC12CCCC2
InChIInChI=1S/C9H16O/c1-8-4-7-10-9(8)5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyKYSZCOVWNSKDIM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds

About 4-methyl-1-oxaspiro[4.4]nonane

4-methyl-1-oxaspiro[4.4]nonane (PubChem CID 101047494) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[4.4]nonane
PubChem CID101047494
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyl-1-oxaspiro[4.4]nonane
SMILESCC1CCOC12CCCC2
InChIInChI=1S/C9H16O/c1-8-4-7-10-9(8)5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyKYSZCOVWNSKDIM-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxaspiro[4.4]nonane?
The IUPAC name of 4-methyl-1-oxaspiro[4.4]nonane (CID 101047494) is 4-methyl-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 4-methyl-1-oxaspiro[4.4]nonane?
The canonical SMILES for 4-methyl-1-oxaspiro[4.4]nonane is CC1CCOC12CCCC2.
What is the InChIKey of 4-methyl-1-oxaspiro[4.4]nonane?
The InChIKey is KYSZCOVWNSKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-7-10-9(8)5-2-3-6-9/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[4.4]nonane?
4-methyl-1-oxaspiro[4.4]nonane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 101047494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).