3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene

C10H16O — CID 90777101

IUPAC3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
SMILESC=C(C)C(=COCC)C(=C)C
InChIInChI=1S/C10H16O/c1-6-11-7-10(8(2)3)9(4)5/h7H,2,4,6H2,1,3,5H3
InChIKeyHDOGOPHKARKFFR-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds4

About 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene

3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene (PubChem CID 90777101) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene.

Molecular Properties

Compound Name3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
PubChem CID90777101
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
SMILESC=C(C)C(=COCC)C(=C)C
InChIInChI=1S/C10H16O/c1-6-11-7-10(8(2)3)9(4)5/h7H,2,4,6H2,1,3,5H3
InChIKeyHDOGOPHKARKFFR-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(ethoxymethylidene)-3-methylbut-3-enoate
CID 165050811
methyl 3-(ethoxymethylidene)-4-methylpent-4-enoate
CID 135132678
methyl 2-(ethoxymethylidene)-3-oxobutanoate
CID 54517351
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
5-(ethoxymethylidene)nonane-4,6-dione
CID 166927824
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
propan-2-yl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate
CID 88811779
2-(ethoxymethylidene)-3-oxopentanoic acid
CID 87879356
(2Z)-2-(ethoxymethylidene)-3-hydroxybut-3-enenitrile
CID 87527801
(E)-3-ethoxy-N,2-dimethylprop-2-en-1-imine
CID 163855599
ethyl (2E)-2-(ethoxymethylidene)-3-oxopentanoate
CID 10774397
diethyl 2-(aminomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate
CID 158311966

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene?
The IUPAC name of 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene (CID 90777101) is 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene.
What is the SMILES notation for 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene?
The canonical SMILES for 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene is C=C(C)C(=COCC)C(=C)C.
What is the InChIKey of 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene?
The InChIKey is HDOGOPHKARKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-11-7-10(8(2)3)9(4)5/h7H,2,4,6H2,1,3,5H3.
What are the key properties of 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene?
3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene is sourced from PubChem (CID 90777101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).