5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one

C17H24O — CID 123766592

IUPAC5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one
SMILESC=C(C=C(C)C=CCC)C(C=C(C)C(C)=O)=CC
InChIInChI=1S/C17H24O/c1-7-9-10-13(3)11-15(5)17(8-2)12-14(4)16(6)18/h8-12H,5,7H2,1-4,6H3
InChIKeyMSXSYENQDGLUID-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.94
Rot. Bonds6

About 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one

5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one (PubChem CID 123766592) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one.

Molecular Properties

Compound Name5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one
PubChem CID123766592
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one
SMILESC=C(C=C(C)C=CCC)C(C=C(C)C(C)=O)=CC
InChIInChI=1S/C17H24O/c1-7-9-10-13(3)11-15(5)17(8-2)12-14(4)16(6)18/h8-12H,5,7H2,1-4,6H3
InChIKeyMSXSYENQDGLUID-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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3-ethylidenehept-4-en-2-one
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(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(3E)-3,6-dimethyl-5-methylidenehepta-3,6-dien-2-one
CID 143344295
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
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2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(Z)-2-methyl-4-methylidene-5-oxohex-2-enethial
CID 156716767
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one?
The IUPAC name of 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one (CID 123766592) is 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one.
What is the SMILES notation for 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one?
The canonical SMILES for 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one is C=C(C=C(C)C=CCC)C(C=C(C)C(C)=O)=CC.
What is the InChIKey of 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one?
The InChIKey is MSXSYENQDGLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-7-9-10-13(3)11-15(5)17(8-2)12-14(4)16(6)18/h8-12H,5,7H2,1-4,6H3.
What are the key properties of 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one?
5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one has a molecular weight of 244.38 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3,8-dimethyl-6-methylidenedodeca-3,7,9-trien-2-one is sourced from PubChem (CID 123766592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).