[(Z)-hex-3-enyl] non-2-ynoate

C15H24O2 — CID 5367676

IUPAC[(Z)-hex-3-enyl] non-2-ynoate
SMILESCC/C=C\CCOC(=O)C#CCCCCCC
InChIInChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-
InChIKeyPDPNRGJWKDIKKR-VURMDHGXSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds8

About [(Z)-hex-3-enyl] non-2-ynoate

[(Z)-hex-3-enyl] non-2-ynoate (PubChem CID 5367676) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] non-2-ynoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] non-2-ynoate
PubChem CID5367676
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(Z)-hex-3-enyl] non-2-ynoate
SMILESCC/C=C\CCOC(=O)C#CCCCCCC
InChIInChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-
InChIKeyPDPNRGJWKDIKKR-VURMDHGXSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] non-2-ynoate?
The IUPAC name of [(Z)-hex-3-enyl] non-2-ynoate (CID 5367676) is [(Z)-hex-3-enyl] non-2-ynoate.
What is the SMILES notation for [(Z)-hex-3-enyl] non-2-ynoate?
The canonical SMILES for [(Z)-hex-3-enyl] non-2-ynoate is CC/C=C\CCOC(=O)C#CCCCCCC.
What is the InChIKey of [(Z)-hex-3-enyl] non-2-ynoate?
The InChIKey is PDPNRGJWKDIKKR-VURMDHGXSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-.
What are the key properties of [(Z)-hex-3-enyl] non-2-ynoate?
[(Z)-hex-3-enyl] non-2-ynoate has a molecular weight of 236.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] non-2-ynoate is sourced from PubChem (CID 5367676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).