2-ethoxy-4-methyl-3-methylidenepent-1-ene

C9H16O — CID 135015059

IUPAC2-ethoxy-4-methyl-3-methylidenepent-1-ene
SMILESC=C(OCC)C(=C)C(C)C
InChIInChI=1S/C9H16O/c1-6-10-9(5)8(4)7(2)3/h7H,4-6H2,1-3H3
InChIKeyDADOFRFPNDZZRQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.75
Rot. Bonds4

About 2-ethoxy-4-methyl-3-methylidenepent-1-ene

2-ethoxy-4-methyl-3-methylidenepent-1-ene (PubChem CID 135015059) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-3-methylidenepent-1-ene.

Molecular Properties

Compound Name2-ethoxy-4-methyl-3-methylidenepent-1-ene
PubChem CID135015059
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethoxy-4-methyl-3-methylidenepent-1-ene
SMILESC=C(OCC)C(=C)C(C)C
InChIInChI=1S/C9H16O/c1-6-10-9(5)8(4)7(2)3/h7H,4-6H2,1-3H3
InChIKeyDADOFRFPNDZZRQ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-3-methylidenepent-1-ene?
The IUPAC name of 2-ethoxy-4-methyl-3-methylidenepent-1-ene (CID 135015059) is 2-ethoxy-4-methyl-3-methylidenepent-1-ene.
What is the SMILES notation for 2-ethoxy-4-methyl-3-methylidenepent-1-ene?
The canonical SMILES for 2-ethoxy-4-methyl-3-methylidenepent-1-ene is C=C(OCC)C(=C)C(C)C.
What is the InChIKey of 2-ethoxy-4-methyl-3-methylidenepent-1-ene?
The InChIKey is DADOFRFPNDZZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-10-9(5)8(4)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-3-methylidenepent-1-ene?
2-ethoxy-4-methyl-3-methylidenepent-1-ene has a molecular weight of 140.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-3-methylidenepent-1-ene is sourced from PubChem (CID 135015059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).