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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Related Compounds

CID 10040623
CID 10040623
(1R,4R,6R,9Z,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 46833411
(1S,4R,6R,9E,12R)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 164609000
(1S,4S,6S,9E,12R)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 10380209
(1R,4S,6S,9E,12S)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 21582039
(1R,4S,6S,9E,12S)-4,9,12-trimethyl-15-propan-2-yl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-13-one
CID 46887713
(1S,4S,6S,9E,12R)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 46888355
Phomophyllin A
CID 139589997
Claenone
CID 5459116
(1S,5R)-1-(ethoxymethyl)-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 127041223
[(2R)-4-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl] 3-methylbutanoate
CID 137639622
4,9,12-Trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 73805312

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).