3-ethoxy-2,4-dimethylpent-2-ene

C9H18O — CID 20767743

IUPAC3-ethoxy-2,4-dimethylpent-2-ene
SMILESCCOC(=C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h7H,6H2,1-5H3
InChIKeyYMDBLDPNUBMQCU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds3

About 3-ethoxy-2,4-dimethylpent-2-ene

3-ethoxy-2,4-dimethylpent-2-ene (PubChem CID 20767743) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethoxy-2,4-dimethylpent-2-ene.

Molecular Properties

Compound Name3-ethoxy-2,4-dimethylpent-2-ene
PubChem CID20767743
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethoxy-2,4-dimethylpent-2-ene
SMILESCCOC(=C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h7H,6H2,1-5H3
InChIKeyYMDBLDPNUBMQCU-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4-dimethylpent-2-ene?
The IUPAC name of 3-ethoxy-2,4-dimethylpent-2-ene (CID 20767743) is 3-ethoxy-2,4-dimethylpent-2-ene.
What is the SMILES notation for 3-ethoxy-2,4-dimethylpent-2-ene?
The canonical SMILES for 3-ethoxy-2,4-dimethylpent-2-ene is CCOC(=C(C)C)C(C)C.
What is the InChIKey of 3-ethoxy-2,4-dimethylpent-2-ene?
The InChIKey is YMDBLDPNUBMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h7H,6H2,1-5H3.
What are the key properties of 3-ethoxy-2,4-dimethylpent-2-ene?
3-ethoxy-2,4-dimethylpent-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4-dimethylpent-2-ene is sourced from PubChem (CID 20767743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).