ethyl (Z)-2-methylpent-3-enoate

C8H14O2 — CID 14423335

IUPACethyl (Z)-2-methylpent-3-enoate
SMILESC/C=C\C(C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-
InChIKeyHOWBPXBYCPKWBL-XQRVVYSFSA-N
MW142.20 g/mol
LogP1.76
Rot. Bonds3

About ethyl (Z)-2-methylpent-3-enoate

ethyl (Z)-2-methylpent-3-enoate (PubChem CID 14423335) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl (Z)-2-methylpent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methylpent-3-enoate
PubChem CID14423335
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethyl (Z)-2-methylpent-3-enoate
SMILESC/C=C\C(C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-
InChIKeyHOWBPXBYCPKWBL-XQRVVYSFSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methylpent-3-enoate?
The IUPAC name of ethyl (Z)-2-methylpent-3-enoate (CID 14423335) is ethyl (Z)-2-methylpent-3-enoate.
What is the SMILES notation for ethyl (Z)-2-methylpent-3-enoate?
The canonical SMILES for ethyl (Z)-2-methylpent-3-enoate is C/C=C\C(C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-methylpent-3-enoate?
The InChIKey is HOWBPXBYCPKWBL-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-.
What are the key properties of ethyl (Z)-2-methylpent-3-enoate?
ethyl (Z)-2-methylpent-3-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methylpent-3-enoate is sourced from PubChem (CID 14423335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).