pent-4-enyl pent-4-enoate

C10H16O2 — CID 86018729

IUPACpent-4-enyl pent-4-enoate
SMILESC=CCCCOC(=O)CCC=C
InChIInChI=1S/C10H16O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-4H,1-2,5-9H2
InChIKeyZYDDIKZPZGEADN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds7

About pent-4-enyl pent-4-enoate

pent-4-enyl pent-4-enoate (PubChem CID 86018729) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is pent-4-enyl pent-4-enoate.

Molecular Properties

Compound Namepent-4-enyl pent-4-enoate
PubChem CID86018729
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namepent-4-enyl pent-4-enoate
SMILESC=CCCCOC(=O)CCC=C
InChIInChI=1S/C10H16O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-4H,1-2,5-9H2
InChIKeyZYDDIKZPZGEADN-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
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'}

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Related Compounds

bis(pent-4-enyl) decanedioate
CID 91694638
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
5-O-pent-4-enyl 1-O-propyl pentanedioate
CID 91706414
but-3-enyl hept-6-enoate
CID 86101121
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
ethyl pent-4-enoate;dihydrochloride
CID 175912482
5-oxo-5-undec-10-enoxypentanoic acid
CID 11778631
hydroxymethyl pent-4-enoate
CID 175918381
aminomethyl pent-4-enoate
CID 123806014
2-hydroxyethyl dec-9-enoate
CID 87084822

Frequently Asked Questions

What is the IUPAC name of pent-4-enyl pent-4-enoate?
The IUPAC name of pent-4-enyl pent-4-enoate (CID 86018729) is pent-4-enyl pent-4-enoate.
What is the SMILES notation for pent-4-enyl pent-4-enoate?
The canonical SMILES for pent-4-enyl pent-4-enoate is C=CCCCOC(=O)CCC=C.
What is the InChIKey of pent-4-enyl pent-4-enoate?
The InChIKey is ZYDDIKZPZGEADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-4H,1-2,5-9H2.
What are the key properties of pent-4-enyl pent-4-enoate?
pent-4-enyl pent-4-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl pent-4-enoate is sourced from PubChem (CID 86018729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).