(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane

C20H32O2 — CID 134270920

IUPAC(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane
SMILESCC(C)=C/C=C1/CCC2(CO2)C(C(C)(C)OCC=C(C)C)C1
InChIInChI=1S/C20H32O2/c1-15(2)7-8-17-9-11-20(14-22-20)18(13-17)19(5,6)21-12-10-16(3)4/h7-8,10,18H,9,11-14H2,1-6H3/b17-8-
InChIKeyHQTBFSYQIKNZBK-IUXPMGMMSA-N
MW304.47 g/mol
LogP5.21
Rot. Bonds5

About (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane

(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane (PubChem CID 134270920) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane
PubChem CID134270920
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane
SMILESCC(C)=C/C=C1/CCC2(CO2)C(C(C)(C)OCC=C(C)C)C1
InChIInChI=1S/C20H32O2/c1-15(2)7-8-17-9-11-20(14-22-20)18(13-17)19(5,6)21-12-10-16(3)4/h7-8,10,18H,9,11-14H2,1-6H3/b17-8-
InChIKeyHQTBFSYQIKNZBK-IUXPMGMMSA-N
XLogP5.21
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane?
The IUPAC name of (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane (CID 134270920) is (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane.
What is the SMILES notation for (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane?
The canonical SMILES for (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane is CC(C)=C/C=C1/CCC2(CO2)C(C(C)(C)OCC=C(C)C)C1.
What is the InChIKey of (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane?
The InChIKey is HQTBFSYQIKNZBK-IUXPMGMMSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)7-8-17-9-11-20(14-22-20)18(13-17)19(5,6)21-12-10-16(3)4/h7-8,10,18H,9,11-14H2,1-6H3/b17-8-.
What are the key properties of (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane?
(6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane has a molecular weight of 304.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-6-(3-methylbut-2-enylidene)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).