methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate

C15H24O4 — CID 59766968

IUPACmethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate
SMILESCOC(=O)CC1=C(C)C(C)(C)C2(OCCO2)C1(C)C
InChIInChI=1S/C15H24O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h7-9H2,1-6H3
InChIKeyWJYDHXSMNMQWII-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate

methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate (PubChem CID 59766968) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate
PubChem CID59766968
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate
SMILESCOC(=O)CC1=C(C)C(C)(C)C2(OCCO2)C1(C)C
InChIInChI=1S/C15H24O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h7-9H2,1-6H3
InChIKeyWJYDHXSMNMQWII-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate?
The IUPAC name of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate (CID 59766968) is methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate.
What is the SMILES notation for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate?
The canonical SMILES for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate is COC(=O)CC1=C(C)C(C)(C)C2(OCCO2)C1(C)C.
What is the InChIKey of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate?
The InChIKey is WJYDHXSMNMQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10-11(9-12(16)17-6)14(4,5)15(13(10,2)3)18-7-8-19-15/h7-9H2,1-6H3.
What are the key properties of methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate?
methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate has a molecular weight of 268.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate is sourced from PubChem (CID 59766968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).