[(Z)-oct-1-enyl] 2,2,2-trichloroacetate

C10H15Cl3O2 — CID 102042632

IUPAC[(Z)-oct-1-enyl] 2,2,2-trichloroacetate
SMILESCCCCCC/C=C\OC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl3O2/c1-2-3-4-5-6-7-8-15-9(14)10(11,12)13/h7-8H,2-6H2,1H3/b8-7-
InChIKeyFMHAZLDPPDQSQS-FPLPWBNLSA-N
MW273.59 g/mol
LogP4.38
Rot. Bonds6

About [(Z)-oct-1-enyl] 2,2,2-trichloroacetate

[(Z)-oct-1-enyl] 2,2,2-trichloroacetate (PubChem CID 102042632) has the molecular formula C10H15Cl3O2 and a molecular weight of 273.59 g/mol. Its IUPAC name is [(Z)-oct-1-enyl] 2,2,2-trichloroacetate.

Molecular Properties

Compound Name[(Z)-oct-1-enyl] 2,2,2-trichloroacetate
PubChem CID102042632
Molecular FormulaC10H15Cl3O2
Molecular Weight273.59 g/mol
Exact Mass272.01
IUPAC Name[(Z)-oct-1-enyl] 2,2,2-trichloroacetate
SMILESCCCCCC/C=C\OC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl3O2/c1-2-3-4-5-6-7-8-15-9(14)10(11,12)13/h7-8H,2-6H2,1H3/b8-7-
InChIKeyFMHAZLDPPDQSQS-FPLPWBNLSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-hexadec-1-enyl] acetate
CID 5376351
dec-1-enyl 2-sulfanylacetate
CID 175348578
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
dec-1-enyl propanoate
CID 54106013
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
icos-1-enyl docos-2-enoate
CID 54494040
octadec-1-enyl tetradecanoate
CID 71417711
octadec-1-enyl icos-2-enoate
CID 53437848
docos-1-enyl tetradecanoate
CID 141143815
undec-1-enyl pentanoate
CID 150139235
dipotassium;bis(octadec-1-enyl) butanedioate;hydride
CID 174812028
tetradec-1-enyl prop-2-enoate
CID 140580779

Frequently Asked Questions

What is the IUPAC name of [(Z)-oct-1-enyl] 2,2,2-trichloroacetate?
The IUPAC name of [(Z)-oct-1-enyl] 2,2,2-trichloroacetate (CID 102042632) is [(Z)-oct-1-enyl] 2,2,2-trichloroacetate.
What is the SMILES notation for [(Z)-oct-1-enyl] 2,2,2-trichloroacetate?
The canonical SMILES for [(Z)-oct-1-enyl] 2,2,2-trichloroacetate is CCCCCC/C=C\OC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z)-oct-1-enyl] 2,2,2-trichloroacetate?
The InChIKey is FMHAZLDPPDQSQS-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H15Cl3O2/c1-2-3-4-5-6-7-8-15-9(14)10(11,12)13/h7-8H,2-6H2,1H3/b8-7-.
What are the key properties of [(Z)-oct-1-enyl] 2,2,2-trichloroacetate?
[(Z)-oct-1-enyl] 2,2,2-trichloroacetate has a molecular weight of 273.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-1-enyl] 2,2,2-trichloroacetate is sourced from PubChem (CID 102042632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).