(Z)-1-ethoxy-3-methylpent-2-ene

C8H16O — CID 14939545

IUPAC(Z)-1-ethoxy-3-methylpent-2-ene
SMILESCCOC/C=C(/C)CC
InChIInChI=1S/C8H16O/c1-4-8(3)6-7-9-5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeyDDQUBUGTGHPIHB-VURMDHGXSA-N
MW128.22 g/mol
LogP2.38
Rot. Bonds4

About (Z)-1-ethoxy-3-methylpent-2-ene

(Z)-1-ethoxy-3-methylpent-2-ene (PubChem CID 14939545) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (Z)-1-ethoxy-3-methylpent-2-ene.

Molecular Properties

Compound Name(Z)-1-ethoxy-3-methylpent-2-ene
PubChem CID14939545
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(Z)-1-ethoxy-3-methylpent-2-ene
SMILESCCOC/C=C(/C)CC
InChIInChI=1S/C8H16O/c1-4-8(3)6-7-9-5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeyDDQUBUGTGHPIHB-VURMDHGXSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-3-methylpent-2-ene?
The IUPAC name of (Z)-1-ethoxy-3-methylpent-2-ene (CID 14939545) is (Z)-1-ethoxy-3-methylpent-2-ene.
What is the SMILES notation for (Z)-1-ethoxy-3-methylpent-2-ene?
The canonical SMILES for (Z)-1-ethoxy-3-methylpent-2-ene is CCOC/C=C(/C)CC.
What is the InChIKey of (Z)-1-ethoxy-3-methylpent-2-ene?
The InChIKey is DDQUBUGTGHPIHB-VURMDHGXSA-N. The full InChI is InChI=1S/C8H16O/c1-4-8(3)6-7-9-5-2/h6H,4-5,7H2,1-3H3/b8-6-.
What are the key properties of (Z)-1-ethoxy-3-methylpent-2-ene?
(Z)-1-ethoxy-3-methylpent-2-ene has a molecular weight of 128.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-3-methylpent-2-ene is sourced from PubChem (CID 14939545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).