2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane

C10H16O3 — CID 91410203

IUPAC2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane
SMILESCOC=C1CCC2(CCCCO2)O1
InChIInChI=1S/C10H16O3/c1-11-8-9-4-6-10(13-9)5-2-3-7-12-10/h8H,2-7H2,1H3
InChIKeyCKHQKZLYDFDGAR-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.18
Rot. Bonds1

About 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane

2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane (PubChem CID 91410203) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane
PubChem CID91410203
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane
SMILESCOC=C1CCC2(CCCCO2)O1
InChIInChI=1S/C10H16O3/c1-11-8-9-4-6-10(13-9)5-2-3-7-12-10/h8H,2-7H2,1H3
InChIKeyCKHQKZLYDFDGAR-UHFFFAOYSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
CID 134986577
8-Methyl-1,6-dioxaspiro[4.5]dec-7-ene
CID 13237180
2-Prop-2-enyl-1,10-dioxaspiro[4.5]decane
CID 118105006
3-Butyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 10774829
9-Methylidene-1,6-dioxaspiro[4.5]decane
CID 11051875
(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane
CID 15162519
3-Methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 52920813
(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 102517941

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane?
The IUPAC name of 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane (CID 91410203) is 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane is COC=C1CCC2(CCCCO2)O1.
What is the InChIKey of 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane?
The InChIKey is CKHQKZLYDFDGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-11-8-9-4-6-10(13-9)5-2-3-7-12-10/h8H,2-7H2,1H3.
What are the key properties of 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane?
2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane has a molecular weight of 184.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylidene)-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 91410203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).