2-ethoxy-4-methylpenta-1,3-diene

C8H14O — CID 90130900

IUPAC2-ethoxy-4-methylpenta-1,3-diene
SMILESC=C(C=C(C)C)OCC
InChIInChI=1S/C8H14O/c1-5-9-8(4)6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyRISKWZCXDYDWTM-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds3

About 2-ethoxy-4-methylpenta-1,3-diene

2-ethoxy-4-methylpenta-1,3-diene (PubChem CID 90130900) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethoxy-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-4-methylpenta-1,3-diene
PubChem CID90130900
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethoxy-4-methylpenta-1,3-diene
SMILESC=C(C=C(C)C)OCC
InChIInChI=1S/C8H14O/c1-5-9-8(4)6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyRISKWZCXDYDWTM-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
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

(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
CID 143876381
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(2E)-4-ethoxypenta-2,4-dienoic acid
CID 87744766
4-ethoxypenta-2,4-dienoic acid
CID 57246657
ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 15438220
4-ethoxypenta-2,4-dienyl acetate
CID 123296017
[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-trimethylgermane
CID 101385690
(3E)-3-ethoxy-5-fluoro-2-methylhexa-1,3,5-triene
CID 143876439
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 145148215

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methylpenta-1,3-diene?
The IUPAC name of 2-ethoxy-4-methylpenta-1,3-diene (CID 90130900) is 2-ethoxy-4-methylpenta-1,3-diene.
What is the SMILES notation for 2-ethoxy-4-methylpenta-1,3-diene?
The canonical SMILES for 2-ethoxy-4-methylpenta-1,3-diene is C=C(C=C(C)C)OCC.
What is the InChIKey of 2-ethoxy-4-methylpenta-1,3-diene?
The InChIKey is RISKWZCXDYDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-9-8(4)6-7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-4-methylpenta-1,3-diene?
2-ethoxy-4-methylpenta-1,3-diene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylpenta-1,3-diene is sourced from PubChem (CID 90130900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).