pent-1-enyl pentanoate

C10H18O2 — CID 71441326

IUPACpent-1-enyl pentanoate
SMILESCCCC=COC(=O)CCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYCPDOSBDNBUOBD-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.03
Rot. Bonds6

About pent-1-enyl pentanoate

pent-1-enyl pentanoate (PubChem CID 71441326) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is pent-1-enyl pentanoate.

Molecular Properties

Compound Namepent-1-enyl pentanoate
PubChem CID71441326
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namepent-1-enyl pentanoate
SMILESCCCC=COC(=O)CCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYCPDOSBDNBUOBD-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-1-enyl pentanoate?
The IUPAC name of pent-1-enyl pentanoate (CID 71441326) is pent-1-enyl pentanoate.
What is the SMILES notation for pent-1-enyl pentanoate?
The canonical SMILES for pent-1-enyl pentanoate is CCCC=COC(=O)CCCC.
What is the InChIKey of pent-1-enyl pentanoate?
The InChIKey is YCPDOSBDNBUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of pent-1-enyl pentanoate?
pent-1-enyl pentanoate has a molecular weight of 170.25 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enyl pentanoate is sourced from PubChem (CID 71441326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).