1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one

C19H30O — CID 10826213

IUPAC1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one
SMILESCCC1=C(CC)C2(CCCC(=O)C2C)C(CC)=C1CC
InChIInChI=1S/C19H30O/c1-6-14-15(7-2)17(9-4)19(16(14)8-3)12-10-11-18(20)13(19)5/h13H,6-12H2,1-5H3
InChIKeyWZMWINYADZRACF-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.61
Rot. Bonds4

About 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one

1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one (PubChem CID 10826213) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one.

Molecular Properties

Compound Name1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one
PubChem CID10826213
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one
SMILESCCC1=C(CC)C2(CCCC(=O)C2C)C(CC)=C1CC
InChIInChI=1S/C19H30O/c1-6-14-15(7-2)17(9-4)19(16(14)8-3)12-10-11-18(20)13(19)5/h13H,6-12H2,1-5H3
InChIKeyWZMWINYADZRACF-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one?
The IUPAC name of 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one (CID 10826213) is 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one.
What is the SMILES notation for 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one?
The canonical SMILES for 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one is CCC1=C(CC)C2(CCCC(=O)C2C)C(CC)=C1CC.
What is the InChIKey of 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one?
The InChIKey is WZMWINYADZRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-6-14-15(7-2)17(9-4)19(16(14)8-3)12-10-11-18(20)13(19)5/h13H,6-12H2,1-5H3.
What are the key properties of 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one?
1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one has a molecular weight of 274.45 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethyl-10-methylspiro[4.5]deca-1,3-dien-9-one is sourced from PubChem (CID 10826213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).