ethyl (Z)-dec-2-enoate

C12H22O2 — CID 6047581

IUPACethyl (Z)-dec-2-enoate
SMILESCCCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10-
InChIKeyGNJARWZWODMTDR-KHPPLWFESA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About ethyl (Z)-dec-2-enoate

ethyl (Z)-dec-2-enoate (PubChem CID 6047581) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl (Z)-dec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-dec-2-enoate
PubChem CID6047581
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethyl (Z)-dec-2-enoate
SMILESCCCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10-
InChIKeyGNJARWZWODMTDR-KHPPLWFESA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-dec-2-enoate?
The IUPAC name of ethyl (Z)-dec-2-enoate (CID 6047581) is ethyl (Z)-dec-2-enoate.
What is the SMILES notation for ethyl (Z)-dec-2-enoate?
The canonical SMILES for ethyl (Z)-dec-2-enoate is CCCCCCC/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-dec-2-enoate?
The InChIKey is GNJARWZWODMTDR-KHPPLWFESA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10-.
What are the key properties of ethyl (Z)-dec-2-enoate?
ethyl (Z)-dec-2-enoate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-dec-2-enoate is sourced from PubChem (CID 6047581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).