3-(methoxymethylidene)-7-oxaspiro[3.5]nonane

C10H16O2 — CID 163277760

IUPAC3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
SMILESCOC=C1CCC12CCOCC2
InChIInChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3
InChIKeyMPKWGOPKGKEJRR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds1

About 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane

3-(methoxymethylidene)-7-oxaspiro[3.5]nonane (PubChem CID 163277760) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
PubChem CID163277760
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
SMILESCOC=C1CCC12CCOCC2
InChIInChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3
InChIKeyMPKWGOPKGKEJRR-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The IUPAC name of 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane (CID 163277760) is 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane.
What is the SMILES notation for 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The canonical SMILES for 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane is COC=C1CCC12CCOCC2.
What is the InChIKey of 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
The InChIKey is MPKWGOPKGKEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-8-9-2-3-10(9)4-6-12-7-5-10/h8H,2-7H2,1H3.
What are the key properties of 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane?
3-(methoxymethylidene)-7-oxaspiro[3.5]nonane has a molecular weight of 168.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)-7-oxaspiro[3.5]nonane is sourced from PubChem (CID 163277760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).