6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one

C17H26O2 — CID 23451695

IUPAC6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one
SMILESCC(C)=C1CCC2(C1)C(=O)C=C(OC(C)C)CC2C
InChIInChI=1S/C17H26O2/c1-11(2)14-6-7-17(10-14)13(5)8-15(9-16(17)18)19-12(3)4/h9,12-13H,6-8,10H2,1-5H3
InChIKeyPQGWHHCCEPTYSN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds2

About 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one

6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one (PubChem CID 23451695) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one
PubChem CID23451695
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one
SMILESCC(C)=C1CCC2(C1)C(=O)C=C(OC(C)C)CC2C
InChIInChI=1S/C17H26O2/c1-11(2)14-6-7-17(10-14)13(5)8-15(9-16(17)18)19-12(3)4/h9,12-13H,6-8,10H2,1-5H3
InChIKeyPQGWHHCCEPTYSN-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one?
The IUPAC name of 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one (CID 23451695) is 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one is CC(C)=C1CCC2(C1)C(=O)C=C(OC(C)C)CC2C.
What is the InChIKey of 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one?
The InChIKey is PQGWHHCCEPTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)14-6-7-17(10-14)13(5)8-15(9-16(17)18)19-12(3)4/h9,12-13H,6-8,10H2,1-5H3.
What are the key properties of 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one?
6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one has a molecular weight of 262.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 23451695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).