7-methylidene-1,4-dioxaspiro[4.8]tridecane

C12H20O2 — CID 10750402

IUPAC7-methylidene-1,4-dioxaspiro[4.8]tridecane
SMILESC=C1CCCCCCC2(C1)OCCO2
InChIInChI=1S/C12H20O2/c1-11-6-4-2-3-5-7-12(10-11)13-8-9-14-12/h1-10H2
InChIKeyCDUGUBPUYKKVCF-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds

About 7-methylidene-1,4-dioxaspiro[4.8]tridecane

7-methylidene-1,4-dioxaspiro[4.8]tridecane (PubChem CID 10750402) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methylidene-1,4-dioxaspiro[4.8]tridecane.

Molecular Properties

Compound Name7-methylidene-1,4-dioxaspiro[4.8]tridecane
PubChem CID10750402
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7-methylidene-1,4-dioxaspiro[4.8]tridecane
SMILESC=C1CCCCCCC2(C1)OCCO2
InChIInChI=1S/C12H20O2/c1-11-6-4-2-3-5-7-12(10-11)13-8-9-14-12/h1-10H2
InChIKeyCDUGUBPUYKKVCF-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,4-dioxaspiro[4.8]tridecane?
The IUPAC name of 7-methylidene-1,4-dioxaspiro[4.8]tridecane (CID 10750402) is 7-methylidene-1,4-dioxaspiro[4.8]tridecane.
What is the SMILES notation for 7-methylidene-1,4-dioxaspiro[4.8]tridecane?
The canonical SMILES for 7-methylidene-1,4-dioxaspiro[4.8]tridecane is C=C1CCCCCCC2(C1)OCCO2.
What is the InChIKey of 7-methylidene-1,4-dioxaspiro[4.8]tridecane?
The InChIKey is CDUGUBPUYKKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11-6-4-2-3-5-7-12(10-11)13-8-9-14-12/h1-10H2.
What are the key properties of 7-methylidene-1,4-dioxaspiro[4.8]tridecane?
7-methylidene-1,4-dioxaspiro[4.8]tridecane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,4-dioxaspiro[4.8]tridecane is sourced from PubChem (CID 10750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).