7-methyl-5,8-dioxaspiro[3.4]oct-6-ene

C7H10O2 — CID 134935672

IUPAC7-methyl-5,8-dioxaspiro[3.4]oct-6-ene
SMILESCC1=COC2(CCC2)O1
InChIInChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h5H,2-4H2,1H3
InChIKeyXZONPXGZGQRKFT-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.77
Rot. Bonds

About 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene

7-methyl-5,8-dioxaspiro[3.4]oct-6-ene (PubChem CID 134935672) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene.

Molecular Properties

Compound Name7-methyl-5,8-dioxaspiro[3.4]oct-6-ene
PubChem CID134935672
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name7-methyl-5,8-dioxaspiro[3.4]oct-6-ene
SMILESCC1=COC2(CCC2)O1
InChIInChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h5H,2-4H2,1H3
InChIKeyXZONPXGZGQRKFT-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene?
The IUPAC name of 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene (CID 134935672) is 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene.
What is the SMILES notation for 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene?
The canonical SMILES for 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene is CC1=COC2(CCC2)O1.
What is the InChIKey of 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene?
The InChIKey is XZONPXGZGQRKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-5-8-7(9-6)3-2-4-7/h5H,2-4H2,1H3.
What are the key properties of 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene?
7-methyl-5,8-dioxaspiro[3.4]oct-6-ene has a molecular weight of 126.15 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,8-dioxaspiro[3.4]oct-6-ene is sourced from PubChem (CID 134935672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).