[(Z)-pent-2-enyl] pentanoate

C10H18O2 — CID 5367937

IUPAC[(Z)-pent-2-enyl] pentanoate
SMILESCC/C=C\COC(=O)CCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-
InChIKeyOOOOZEUSWYVZBU-ALCCZGGFSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds6

About [(Z)-pent-2-enyl] pentanoate

[(Z)-pent-2-enyl] pentanoate (PubChem CID 5367937) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(Z)-pent-2-enyl] pentanoate.

Molecular Properties

Compound Name[(Z)-pent-2-enyl] pentanoate
PubChem CID5367937
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(Z)-pent-2-enyl] pentanoate
SMILESCC/C=C\COC(=O)CCCC
InChIInChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-
InChIKeyOOOOZEUSWYVZBU-ALCCZGGFSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis[(E)-pent-2-enyl] pentanedioate
CID 91706483
bis(nona-2,6-dienyl) butanedioate
CID 172814579
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
but-2-enyl octanoate
CID 141242223
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
hex-2-enyl hex-3-enoate
CID 71346528
[(E)-non-2-enyl] 4-bromobutanoate
CID 156692547
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123

Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-2-enyl] pentanoate?
The IUPAC name of [(Z)-pent-2-enyl] pentanoate (CID 5367937) is [(Z)-pent-2-enyl] pentanoate.
What is the SMILES notation for [(Z)-pent-2-enyl] pentanoate?
The canonical SMILES for [(Z)-pent-2-enyl] pentanoate is CC/C=C\COC(=O)CCCC.
What is the InChIKey of [(Z)-pent-2-enyl] pentanoate?
The InChIKey is OOOOZEUSWYVZBU-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-9-12-10(11)8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-.
What are the key properties of [(Z)-pent-2-enyl] pentanoate?
[(Z)-pent-2-enyl] pentanoate 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 [(Z)-pent-2-enyl] pentanoate is sourced from PubChem (CID 5367937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).