7-methylidene-5,8-dioxaspiro[3.4]octane

C7H10O2 — CID 134879625

IUPAC7-methylidene-5,8-dioxaspiro[3.4]octane
SMILESC=C1COC2(CCC2)O1
InChIInChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h1-5H2
InChIKeyZHTDFHMHNLFJPE-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.43
Rot. Bonds

About 7-methylidene-5,8-dioxaspiro[3.4]octane

7-methylidene-5,8-dioxaspiro[3.4]octane (PubChem CID 134879625) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 7-methylidene-5,8-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name7-methylidene-5,8-dioxaspiro[3.4]octane
PubChem CID134879625
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name7-methylidene-5,8-dioxaspiro[3.4]octane
SMILESC=C1COC2(CCC2)O1
InChIInChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h1-5H2
InChIKeyZHTDFHMHNLFJPE-UHFFFAOYSA-N
XLogP1.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5,8-dioxaspiro[3.4]octane?
The IUPAC name of 7-methylidene-5,8-dioxaspiro[3.4]octane (CID 134879625) is 7-methylidene-5,8-dioxaspiro[3.4]octane.
What is the SMILES notation for 7-methylidene-5,8-dioxaspiro[3.4]octane?
The canonical SMILES for 7-methylidene-5,8-dioxaspiro[3.4]octane is C=C1COC2(CCC2)O1.
What is the InChIKey of 7-methylidene-5,8-dioxaspiro[3.4]octane?
The InChIKey is ZHTDFHMHNLFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h1-5H2.
What are the key properties of 7-methylidene-5,8-dioxaspiro[3.4]octane?
7-methylidene-5,8-dioxaspiro[3.4]octane has a molecular weight of 126.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 134879625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).