(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione

C20H30O5 — CID 11078629

IUPAC(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione
SMILESCO/C=C1/CC(C)(C)CCC12C(=O)C(=O)C(OC(C)C)=C2OC(C)C
InChIInChI=1S/C20H30O5/c1-12(2)24-16-15(21)17(22)20(18(16)25-13(3)4)9-8-19(5,6)10-14(20)11-23-7/h11-13H,8-10H2,1-7H3/b14-11-
InChIKeyWETPUCRRNGWJPZ-KAMYIIQDSA-N
MW350.46 g/mol
LogP3.93
Rot. Bonds5

About (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione

(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione (PubChem CID 11078629) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione.

Molecular Properties

Compound Name(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione
PubChem CID11078629
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione
SMILESCO/C=C1/CC(C)(C)CCC12C(=O)C(=O)C(OC(C)C)=C2OC(C)C
InChIInChI=1S/C20H30O5/c1-12(2)24-16-15(21)17(22)20(18(16)25-13(3)4)9-8-19(5,6)10-14(20)11-23-7/h11-13H,8-10H2,1-7H3/b14-11-
InChIKeyWETPUCRRNGWJPZ-KAMYIIQDSA-N
XLogP3.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aR)-3a,6a-dimethyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-one
CID 10540581
(10E)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione
CID 11068103
9-Tert-butyl-2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153603

Frequently Asked Questions

What is the IUPAC name of (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione?
The IUPAC name of (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione (CID 11078629) is (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione.
What is the SMILES notation for (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione?
The canonical SMILES for (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione is CO/C=C1/CC(C)(C)CCC12C(=O)C(=O)C(OC(C)C)=C2OC(C)C.
What is the InChIKey of (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione?
The InChIKey is WETPUCRRNGWJPZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H30O5/c1-12(2)24-16-15(21)17(22)20(18(16)25-13(3)4)9-8-19(5,6)10-14(20)11-23-7/h11-13H,8-10H2,1-7H3/b14-11-.
What are the key properties of (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione?
(10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione has a molecular weight of 350.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-(methoxymethylidene)-8,8-dimethyl-1,2-di(propan-2-yloxy)spiro[4.5]dec-1-ene-3,4-dione is sourced from PubChem (CID 11078629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).