methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate

C15H24O4 — CID 11521862

IUPACmethyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate
SMILESCOC(=O)CCCC1=C(C)CCC2(OCCO2)C1C
InChIInChI=1S/C15H24O4/c1-11-7-8-15(18-9-10-19-15)12(2)13(11)5-4-6-14(16)17-3/h12H,4-10H2,1-3H3
InChIKeyIOGOGKPZMOYHLA-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds4

About methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate

methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate (PubChem CID 11521862) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate
PubChem CID11521862
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate
SMILESCOC(=O)CCCC1=C(C)CCC2(OCCO2)C1C
InChIInChI=1S/C15H24O4/c1-11-7-8-15(18-9-10-19-15)12(2)13(11)5-4-6-14(16)17-3/h12H,4-10H2,1-3H3
InChIKeyIOGOGKPZMOYHLA-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-carboxylate
CID 359538
methyl (6S)-3,7-dimethyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oct-7-enoate
CID 10859501
Ethyl 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propanoate
CID 135043718
(3aR,7aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 154720439
2-Acetylspiro[1,2,4,5,6,7,9,10-octahydroheptalene-8,2'-1,3-dioxolane]-3-one
CID 363793
Spiro[bicyclo[4.3.0]non-1(6)-en-7-one-4,2'-(1',3'-dioxolane)]-8-carboxylic acid, methyl ester
CID 559924
4-(2,2,6,6,8-Pentamethyl-1,3-dioxaspiro[4.5]dec-7-en-7-yl)butanoic acid
CID 11055555
(7R,8Z)-11-methoxycarbonyl-9-methyl-1,4-dioxaspiro[4.7]dodec-8-ene-7-carboxylic acid
CID 21592656
methyl (1'S,5'S,6'R)-5'-(2-acetyloxyethyl)-1',5',6'-trimethylspiro[1,3-dioxolane-2,3'-4,6,7,8-tetrahydro-2H-naphthalene]-1'-carboxylate
CID 102022432
Ethyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 22501925
Ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate
CID 54322530
Methyl 2-(6,6,7,9,9-pentamethyl-1,4-dioxaspiro[4.4]non-7-en-8-yl)acetate
CID 59766968

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate?
The IUPAC name of methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate (CID 11521862) is methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate.
What is the SMILES notation for methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate?
The canonical SMILES for methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate is COC(=O)CCCC1=C(C)CCC2(OCCO2)C1C.
What is the InChIKey of methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate?
The InChIKey is IOGOGKPZMOYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11-7-8-15(18-9-10-19-15)12(2)13(11)5-4-6-14(16)17-3/h12H,4-10H2,1-3H3.
What are the key properties of methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate?
methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)butanoate is sourced from PubChem (CID 11521862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).