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

C11H20O2 — CID 5354363

IUPACethyl (Z)-3-methyloct-2-enoate
SMILESCCCCC/C(C)=C\C(=O)OCC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-10(3)9-11(12)13-5-2/h9H,4-8H2,1-3H3/b10-9-
InChIKeyHOPWWZLAYCOLHH-KTKRTIGZSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds6

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

ethyl (Z)-3-methyloct-2-enoate (PubChem CID 5354363) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl (Z)-3-methyloct-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-methyloct-2-enoate
PubChem CID5354363
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl (Z)-3-methyloct-2-enoate
SMILESCCCCC/C(C)=C\C(=O)OCC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-10(3)9-11(12)13-5-2/h9H,4-8H2,1-3H3/b10-9-
InChIKeyHOPWWZLAYCOLHH-KTKRTIGZSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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)-3-methyloct-2-enoate?
The IUPAC name of ethyl (Z)-3-methyloct-2-enoate (CID 5354363) is ethyl (Z)-3-methyloct-2-enoate.
What is the SMILES notation for ethyl (Z)-3-methyloct-2-enoate?
The canonical SMILES for ethyl (Z)-3-methyloct-2-enoate is CCCCC/C(C)=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-methyloct-2-enoate?
The InChIKey is HOPWWZLAYCOLHH-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-10(3)9-11(12)13-5-2/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of ethyl (Z)-3-methyloct-2-enoate?
ethyl (Z)-3-methyloct-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-methyloct-2-enoate is sourced from PubChem (CID 5354363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).