4-(methoxymethylidene)dispiro[2.1.25.23]nonane

C11H16O — CID 175852997

IUPAC4-(methoxymethylidene)dispiro[2.1.25.23]nonane
SMILESCOC=C1C2(CC2)CCC12CC2
InChIInChI=1S/C11H16O/c1-12-8-9-10(2-3-10)6-7-11(9)4-5-11/h8H,2-7H2,1H3
InChIKeyDLUPAVVEIYHWCP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds1

About 4-(methoxymethylidene)dispiro[2.1.25.23]nonane

4-(methoxymethylidene)dispiro[2.1.25.23]nonane (PubChem CID 175852997) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(methoxymethylidene)dispiro[2.1.25.23]nonane.

Molecular Properties

Compound Name4-(methoxymethylidene)dispiro[2.1.25.23]nonane
PubChem CID175852997
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-(methoxymethylidene)dispiro[2.1.25.23]nonane
SMILESCOC=C1C2(CC2)CCC12CC2
InChIInChI=1S/C11H16O/c1-12-8-9-10(2-3-10)6-7-11(9)4-5-11/h8H,2-7H2,1H3
InChIKeyDLUPAVVEIYHWCP-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(methoxymethylidene)dispiro[2.1.25.23]nonane?
The IUPAC name of 4-(methoxymethylidene)dispiro[2.1.25.23]nonane (CID 175852997) is 4-(methoxymethylidene)dispiro[2.1.25.23]nonane.
What is the SMILES notation for 4-(methoxymethylidene)dispiro[2.1.25.23]nonane?
The canonical SMILES for 4-(methoxymethylidene)dispiro[2.1.25.23]nonane is COC=C1C2(CC2)CCC12CC2.
What is the InChIKey of 4-(methoxymethylidene)dispiro[2.1.25.23]nonane?
The InChIKey is DLUPAVVEIYHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-12-8-9-10(2-3-10)6-7-11(9)4-5-11/h8H,2-7H2,1H3.
What are the key properties of 4-(methoxymethylidene)dispiro[2.1.25.23]nonane?
4-(methoxymethylidene)dispiro[2.1.25.23]nonane has a molecular weight of 164.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylidene)dispiro[2.1.25.23]nonane is sourced from PubChem (CID 175852997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).