6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one

C15H22O5 — CID 11437514

IUPAC6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
SMILESCCCC1=CC(OC)(OC)C2(C=C1)OC(=O)C(C)(C)O2
InChIInChI=1S/C15H22O5/c1-6-7-11-8-9-14(15(10-11,17-4)18-5)19-12(16)13(2,3)20-14/h8-10H,6-7H2,1-5H3
InChIKeyQYJQQZQIMRXJQT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.32
Rot. Bonds4

About 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one

6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one (PubChem CID 11437514) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one.

Molecular Properties

Compound Name6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
PubChem CID11437514
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
SMILESCCCC1=CC(OC)(OC)C2(C=C1)OC(=O)C(C)(C)O2
InChIInChI=1S/C15H22O5/c1-6-7-11-8-9-14(15(10-11,17-4)18-5)19-12(16)13(2,3)20-14/h8-10H,6-7H2,1-5H3
InChIKeyQYJQQZQIMRXJQT-UHFFFAOYSA-N
XLogP2.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The IUPAC name of 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one (CID 11437514) is 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one.
What is the SMILES notation for 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The canonical SMILES for 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one is CCCC1=CC(OC)(OC)C2(C=C1)OC(=O)C(C)(C)O2.
What is the InChIKey of 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The InChIKey is QYJQQZQIMRXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-6-7-11-8-9-14(15(10-11,17-4)18-5)19-12(16)13(2,3)20-14/h8-10H,6-7H2,1-5H3.
What are the key properties of 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-3,3-dimethyl-8-propyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one is sourced from PubChem (CID 11437514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).