undec-10-enyl 3-chloropropanoate

C14H25ClO2 — CID 543975

IUPACundec-10-enyl 3-chloropropanoate
SMILESC=CCCCCCCCCCOC(=O)CCCl
InChIInChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2H,1,3-13H2
InChIKeyNPXHEBIDHILZLN-UHFFFAOYSA-N
MW260.80 g/mol
LogP4.47
Rot. Bonds12

About undec-10-enyl 3-chloropropanoate

undec-10-enyl 3-chloropropanoate (PubChem CID 543975) has the molecular formula C14H25ClO2 and a molecular weight of 260.80 g/mol. Its IUPAC name is undec-10-enyl 3-chloropropanoate.

Molecular Properties

Compound Nameundec-10-enyl 3-chloropropanoate
PubChem CID543975
Molecular FormulaC14H25ClO2
Molecular Weight260.80 g/mol
Exact Mass260.15
IUPAC Nameundec-10-enyl 3-chloropropanoate
SMILESC=CCCCCCCCCCOC(=O)CCCl
InChIInChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2H,1,3-13H2
InChIKeyNPXHEBIDHILZLN-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.80
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 3-chloropropanoate?
The IUPAC name of undec-10-enyl 3-chloropropanoate (CID 543975) is undec-10-enyl 3-chloropropanoate.
What is the SMILES notation for undec-10-enyl 3-chloropropanoate?
The canonical SMILES for undec-10-enyl 3-chloropropanoate is C=CCCCCCCCCCOC(=O)CCCl.
What is the InChIKey of undec-10-enyl 3-chloropropanoate?
The InChIKey is NPXHEBIDHILZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2H,1,3-13H2.
What are the key properties of undec-10-enyl 3-chloropropanoate?
undec-10-enyl 3-chloropropanoate has a molecular weight of 260.80 g/mol, XLogP of 4.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 3-chloropropanoate is sourced from PubChem (CID 543975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).