4-methyl-4-prop-2-enoxynona-1,8-dien-5-one

C13H20O2 — CID 10703591

IUPAC4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
SMILESC=CCCC(=O)C(C)(CC=C)OCC=C
InChIInChI=1S/C13H20O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyMRBAWWOOXPSROW-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.06
Rot. Bonds9

About 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one

4-methyl-4-prop-2-enoxynona-1,8-dien-5-one (PubChem CID 10703591) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one.

Molecular Properties

Compound Name4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
PubChem CID10703591
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
SMILESC=CCCC(=O)C(C)(CC=C)OCC=C
InChIInChI=1S/C13H20O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyMRBAWWOOXPSROW-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.06
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

(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
5-Methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal
CID 135079526
1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
1-(1-Ethenylcyclohexyl)oxypropan-2-one
CID 13618031
2,7-Dimethyl-5-prop-2-enoxyoct-7-en-4-one
CID 59143594
2,4-Dimethyl-4-(3-methyl-3-prop-2-enoxyhexoxy)hex-1-en-3-one
CID 118399064
4-Ethyl-2-methyl-4-(3-methyl-3-prop-2-enoxyhexoxy)hex-1-en-3-one
CID 118399065
(4S)-2,4-dimethyl-4-(3-methyl-3-prop-2-enoxypentoxy)hex-1-en-3-one
CID 130183839
4-Ethenyl-2-methyl-4-prop-2-enoxyhepta-1,6-diene-3,5-dione
CID 140977739
2-Ethenyl-2-ethoxycyclohexan-1-one
CID 141401591
(4R)-4-prop-2-enoxynona-1,8-dien-5-one
CID 10856361
(4S)-4-prop-2-enoxynona-1,8-dien-5-one
CID 11008816

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one?
The IUPAC name of 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one (CID 10703591) is 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one.
What is the SMILES notation for 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one?
The canonical SMILES for 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one is C=CCCC(=O)C(C)(CC=C)OCC=C.
What is the InChIKey of 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one?
The InChIKey is MRBAWWOOXPSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7H,1-3,8-11H2,4H3.
What are the key properties of 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one?
4-methyl-4-prop-2-enoxynona-1,8-dien-5-one has a molecular weight of 208.30 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enoxynona-1,8-dien-5-one is sourced from PubChem (CID 10703591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).