ethyl (2Z)-2-pentylidenedec-3-ynoate

C17H28O2 — CID 101470535

IUPACethyl (2Z)-2-pentylidenedec-3-ynoate
SMILESCCCC/C=C(/C#CCCCCCC)C(=O)OCC
InChIInChI=1S/C17H28O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)17(18)19-6-3/h14H,4-12H2,1-3H3/b16-14-
InChIKeyIZERWDUWPZAXNO-PEZBUJJGSA-N
MW264.41 g/mol
LogP4.64
Rot. Bonds9

About ethyl (2Z)-2-pentylidenedec-3-ynoate

ethyl (2Z)-2-pentylidenedec-3-ynoate (PubChem CID 101470535) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethyl (2Z)-2-pentylidenedec-3-ynoate.

Molecular Properties

Compound Nameethyl (2Z)-2-pentylidenedec-3-ynoate
PubChem CID101470535
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethyl (2Z)-2-pentylidenedec-3-ynoate
SMILESCCCC/C=C(/C#CCCCCCC)C(=O)OCC
InChIInChI=1S/C17H28O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)17(18)19-6-3/h14H,4-12H2,1-3H3/b16-14-
InChIKeyIZERWDUWPZAXNO-PEZBUJJGSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.64
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-heptylidenedec-3-ynoate
CID 134980092
ethyl 2-acetylhept-2-enoate
CID 72741409
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305
ethyl (E)-tridec-4-en-2,6-diynoate
CID 134989248
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
ethyl 2-cyano-6-sulfanylnonadec-2-enoate
CID 57138191
undec-3-yn-2-one
CID 15626863
heptadec-2-ynoic acid
CID 22600366
ethyl 3-hydroxy-2-methylideneundec-4-ynoate
CID 11172462
ethyl undec-5-ynoate
CID 135056494
diethyl (2E)-2-pentylidenepentanedioate
CID 11043359
ethyl (E)-2-acetylnon-2-en-4-ynoate
CID 102313886

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-pentylidenedec-3-ynoate?
The IUPAC name of ethyl (2Z)-2-pentylidenedec-3-ynoate (CID 101470535) is ethyl (2Z)-2-pentylidenedec-3-ynoate.
What is the SMILES notation for ethyl (2Z)-2-pentylidenedec-3-ynoate?
The canonical SMILES for ethyl (2Z)-2-pentylidenedec-3-ynoate is CCCC/C=C(/C#CCCCCCC)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-pentylidenedec-3-ynoate?
The InChIKey is IZERWDUWPZAXNO-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)17(18)19-6-3/h14H,4-12H2,1-3H3/b16-14-.
What are the key properties of ethyl (2Z)-2-pentylidenedec-3-ynoate?
ethyl (2Z)-2-pentylidenedec-3-ynoate has a molecular weight of 264.41 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-pentylidenedec-3-ynoate is sourced from PubChem (CID 101470535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).