hex-5-enyl 2-hex-5-enoxyacetate

C14H24O3 — CID 18520718

IUPAChex-5-enyl 2-hex-5-enoxyacetate
SMILESC=CCCCCOCC(=O)OCCCCC=C
InChIInChI=1S/C14H24O3/c1-3-5-7-9-11-16-13-14(15)17-12-10-8-6-4-2/h3-4H,1-2,5-13H2
InChIKeyAPCAYJLKJFCDNX-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds12

About hex-5-enyl 2-hex-5-enoxyacetate

hex-5-enyl 2-hex-5-enoxyacetate (PubChem CID 18520718) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is hex-5-enyl 2-hex-5-enoxyacetate.

Molecular Properties

Compound Namehex-5-enyl 2-hex-5-enoxyacetate
PubChem CID18520718
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namehex-5-enyl 2-hex-5-enoxyacetate
SMILESC=CCCCCOCC(=O)OCCCCC=C
InChIInChI=1S/C14H24O3/c1-3-5-7-9-11-16-13-14(15)17-12-10-8-6-4-2/h3-4H,1-2,5-13H2
InChIKeyAPCAYJLKJFCDNX-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-enyl 2-hex-5-enoxyacetate?
The IUPAC name of hex-5-enyl 2-hex-5-enoxyacetate (CID 18520718) is hex-5-enyl 2-hex-5-enoxyacetate.
What is the SMILES notation for hex-5-enyl 2-hex-5-enoxyacetate?
The canonical SMILES for hex-5-enyl 2-hex-5-enoxyacetate is C=CCCCCOCC(=O)OCCCCC=C.
What is the InChIKey of hex-5-enyl 2-hex-5-enoxyacetate?
The InChIKey is APCAYJLKJFCDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-5-7-9-11-16-13-14(15)17-12-10-8-6-4-2/h3-4H,1-2,5-13H2.
What are the key properties of hex-5-enyl 2-hex-5-enoxyacetate?
hex-5-enyl 2-hex-5-enoxyacetate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl 2-hex-5-enoxyacetate is sourced from PubChem (CID 18520718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).