ethyl 3-ethenyl-3-methylpent-4-enoate

C10H16O2 — CID 10899083

IUPACethyl 3-ethenyl-3-methylpent-4-enoate
SMILESC=CC(C)(C=C)CC(=O)OCC
InChIInChI=1S/C10H16O2/c1-5-10(4,6-2)8-9(11)12-7-3/h5-6H,1-2,7-8H2,3-4H3
InChIKeyVHZCYHFAELIPIN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds5

About ethyl 3-ethenyl-3-methylpent-4-enoate

ethyl 3-ethenyl-3-methylpent-4-enoate (PubChem CID 10899083) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 3-ethenyl-3-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 3-ethenyl-3-methylpent-4-enoate
PubChem CID10899083
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 3-ethenyl-3-methylpent-4-enoate
SMILESC=CC(C)(C=C)CC(=O)OCC
InChIInChI=1S/C10H16O2/c1-5-10(4,6-2)8-9(11)12-7-3/h5-6H,1-2,7-8H2,3-4H3
InChIKeyVHZCYHFAELIPIN-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.32
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 3-ethenyl-3-methylpent-4-enoate?
The IUPAC name of ethyl 3-ethenyl-3-methylpent-4-enoate (CID 10899083) is ethyl 3-ethenyl-3-methylpent-4-enoate.
What is the SMILES notation for ethyl 3-ethenyl-3-methylpent-4-enoate?
The canonical SMILES for ethyl 3-ethenyl-3-methylpent-4-enoate is C=CC(C)(C=C)CC(=O)OCC.
What is the InChIKey of ethyl 3-ethenyl-3-methylpent-4-enoate?
The InChIKey is VHZCYHFAELIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(4,6-2)8-9(11)12-7-3/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of ethyl 3-ethenyl-3-methylpent-4-enoate?
ethyl 3-ethenyl-3-methylpent-4-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenyl-3-methylpent-4-enoate is sourced from PubChem (CID 10899083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).