pentyl pent-3-enoate

C10H18O2 — CID 54134172

IUPACpentyl pent-3-enoate
SMILESCC=CCC(=O)OCCCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKESXKSMPMXALEH-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds6

About pentyl pent-3-enoate

pentyl pent-3-enoate (PubChem CID 54134172) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is pentyl pent-3-enoate.

Molecular Properties

Compound Namepentyl pent-3-enoate
PubChem CID54134172
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namepentyl pent-3-enoate
SMILESCC=CCC(=O)OCCCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKESXKSMPMXALEH-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
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

hexyl (E)-hept-5-enoate
CID 139695885
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
nonyl (E)-oct-3-enoate
CID 91691438
heptyl (E)-oct-3-enoate
CID 91693487
pentyl 4-pentoxybut-3-enoate
CID 174418136
pentyl hexanoate
CID 10886
ditridecyl pent-2-enedioate
CID 91501346
hexadecyl nonanoate
CID 23372338
1-O-pentyl 6-O-tetradecyl hexanedioate
CID 91713904
dodecyl octatriacontanoate
CID 168953404
hexyl hexanoate;octyl octanoate
CID 174373592
1-O-hexyl 5-O-undecyl pentanedioate
CID 91705535

Frequently Asked Questions

What is the IUPAC name of pentyl pent-3-enoate?
The IUPAC name of pentyl pent-3-enoate (CID 54134172) is pentyl pent-3-enoate.
What is the SMILES notation for pentyl pent-3-enoate?
The canonical SMILES for pentyl pent-3-enoate is CC=CCC(=O)OCCCCC.
What is the InChIKey of pentyl pent-3-enoate?
The InChIKey is KESXKSMPMXALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of pentyl pent-3-enoate?
pentyl pent-3-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl pent-3-enoate is sourced from PubChem (CID 54134172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).