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

C14H26O2 — CID 89095878

IUPACethyl (Z)-3-methylundec-2-enoate
SMILESCCCCCCCC/C(C)=C\C(=O)OCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(3)12-14(15)16-5-2/h12H,4-11H2,1-3H3/b13-12-
InChIKeyPYUQJOSEUIMKFT-SEYXRHQNSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds9

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

ethyl (Z)-3-methylundec-2-enoate (PubChem CID 89095878) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl (Z)-3-methylundec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-methylundec-2-enoate
PubChem CID89095878
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl (Z)-3-methylundec-2-enoate
SMILESCCCCCCCC/C(C)=C\C(=O)OCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(3)12-14(15)16-5-2/h12H,4-11H2,1-3H3/b13-12-
InChIKeyPYUQJOSEUIMKFT-SEYXRHQNSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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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Related Compounds

ethyl 3-decyltridec-2-enoate
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methyl (Z)-3-methyloct-2-enoate
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diethyl (Z)-2-decylbut-2-enedioate
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ethyl (2E)-3,8-dimethylnona-2,7-dienoate
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ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
3-methylpentadec-2-enamide
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(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
ethyl 2-acetyl-4-methyltridec-3-enoate
CID 142358054

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-methylundec-2-enoate?
The IUPAC name of ethyl (Z)-3-methylundec-2-enoate (CID 89095878) is ethyl (Z)-3-methylundec-2-enoate.
What is the SMILES notation for ethyl (Z)-3-methylundec-2-enoate?
The canonical SMILES for ethyl (Z)-3-methylundec-2-enoate is CCCCCCCC/C(C)=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-methylundec-2-enoate?
The InChIKey is PYUQJOSEUIMKFT-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(3)12-14(15)16-5-2/h12H,4-11H2,1-3H3/b13-12-.
What are the key properties of ethyl (Z)-3-methylundec-2-enoate?
ethyl (Z)-3-methylundec-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-methylundec-2-enoate is sourced from PubChem (CID 89095878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).