7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one

C10H12O3 — CID 123214978

IUPAC7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one
SMILESC=C1OC2(CCCC2)OC(=O)C1=C
InChIInChI=1S/C10H12O3/c1-7-8(2)12-10(13-9(7)11)5-3-4-6-10/h1-6H2
InChIKeyUHKTZRRVXNMBSG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.90
Rot. Bonds

About 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one

7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one (PubChem CID 123214978) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one
PubChem CID123214978
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one
SMILESC=C1OC2(CCCC2)OC(=O)C1=C
InChIInChI=1S/C10H12O3/c1-7-8(2)12-10(13-9(7)11)5-3-4-6-10/h1-6H2
InChIKeyUHKTZRRVXNMBSG-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one?
The IUPAC name of 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one (CID 123214978) is 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one.
What is the SMILES notation for 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one?
The canonical SMILES for 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one is C=C1OC2(CCCC2)OC(=O)C1=C.
What is the InChIKey of 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one?
The InChIKey is UHKTZRRVXNMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(2)12-10(13-9(7)11)5-3-4-6-10/h1-6H2.
What are the key properties of 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one?
7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one has a molecular weight of 180.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylidene-6,10-dioxaspiro[4.5]decan-9-one is sourced from PubChem (CID 123214978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).