[(E)-undec-2-enyl] 3-chloropropanoate

C14H25ClO2 — CID 5353112

IUPAC[(E)-undec-2-enyl] 3-chloropropanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCl
InChIInChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h9-10H,2-8,11-13H2,1H3/b10-9+
InChIKeySRHPHYGOUXFJTB-MDZDMXLPSA-N
MW260.81 g/mol
LogP4.47
Rot. Bonds11

About [(E)-undec-2-enyl] 3-chloropropanoate

[(E)-undec-2-enyl] 3-chloropropanoate (PubChem CID 5353112) has the molecular formula C14H25ClO2 and a molecular weight of 260.81 g/mol. Its IUPAC name is [(E)-undec-2-enyl] 3-chloropropanoate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] 3-chloropropanoate
PubChem CID5353112
Molecular FormulaC14H25ClO2
Molecular Weight260.81 g/mol
Exact Mass260.15
IUPAC Name[(E)-undec-2-enyl] 3-chloropropanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCl
InChIInChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h9-10H,2-8,11-13H2,1H3/b10-9+
InChIKeySRHPHYGOUXFJTB-MDZDMXLPSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
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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Related Compounds

2-Decenyl acetate
CID 86882
2-Undecen-1-ol, 1-acetate
CID 110372
Acetic acid trans-2-decen-1-YL ester
CID 5363207
2-Tridecen-1-ol, 1-acetate
CID 110371
2-Tridecen-1-ol, acetate
CID 6437544
2-Dodecen-1-ol, 1-acetate
CID 170040
2-Undecenyl acetate
CID 5363202
2-Dodecenyl acetate
CID 6441593
(Z)-2-Nonenyl propionate
CID 6450502
6-Chloro-3,7-dimethyl-2,7-octadienyl acetate
CID 6537011
[(2E,6E)-10-chloro-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
CID 19981581
(z)-2-Tridecenyl acetate
CID 88603364

Frequently Asked Questions

What is the IUPAC name of [(E)-undec-2-enyl] 3-chloropropanoate?
The IUPAC name of [(E)-undec-2-enyl] 3-chloropropanoate (CID 5353112) is [(E)-undec-2-enyl] 3-chloropropanoate.
What is the SMILES notation for [(E)-undec-2-enyl] 3-chloropropanoate?
The canonical SMILES for [(E)-undec-2-enyl] 3-chloropropanoate is CCCCCCCC/C=C/COC(=O)CCCl.
What is the InChIKey of [(E)-undec-2-enyl] 3-chloropropanoate?
The InChIKey is SRHPHYGOUXFJTB-MDZDMXLPSA-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/h9-10H,2-8,11-13H2,1H3/b10-9+.
What are the key properties of [(E)-undec-2-enyl] 3-chloropropanoate?
[(E)-undec-2-enyl] 3-chloropropanoate has a molecular weight of 260.81 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] 3-chloropropanoate is sourced from PubChem (CID 5353112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).