4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one

C16H24O — CID 154157892

IUPAC4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
SMILESC=C(C)C1CC=C(C)C12CC(C)C(=O)C(C)C2
InChIInChI=1S/C16H24O/c1-10(2)14-7-6-13(5)16(14)8-11(3)15(17)12(4)9-16/h6,11-12,14H,1,7-9H2,2-5H3
InChIKeyNVODVLLBSLJVBA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.15
Rot. Bonds1

About 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one

4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one (PubChem CID 154157892) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one.

Molecular Properties

Compound Name4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
PubChem CID154157892
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
SMILESC=C(C)C1CC=C(C)C12CC(C)C(=O)C(C)C2
InChIInChI=1S/C16H24O/c1-10(2)14-7-6-13(5)16(14)8-11(3)15(17)12(4)9-16/h6,11-12,14H,1,7-9H2,2-5H3
InChIKeyNVODVLLBSLJVBA-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11052100
2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130145587
2,4,4-trimethyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 154599837
2-[(1S,5R)-1,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]acetic acid
CID 15433129
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 42608177
6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 22466510
(2R,6S)-2-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-one
CID 102181609
2,6-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 89031580
(5S,6S)-6-tert-butyl-9-methyl-2-oxaspiro[4.4]non-8-en-3-one
CID 101227694
(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
CID 10899526
3-diazo-1-[(1R,5R,6S)-1,2,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]butan-2-one
CID 101080733

Frequently Asked Questions

What is the IUPAC name of 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one?
The IUPAC name of 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one (CID 154157892) is 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one.
What is the SMILES notation for 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one?
The canonical SMILES for 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one is C=C(C)C1CC=C(C)C12CC(C)C(=O)C(C)C2.
What is the InChIKey of 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one?
The InChIKey is NVODVLLBSLJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-10(2)14-7-6-13(5)16(14)8-11(3)15(17)12(4)9-16/h6,11-12,14H,1,7-9H2,2-5H3.
What are the key properties of 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one?
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one has a molecular weight of 232.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one is sourced from PubChem (CID 154157892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).