8-(4-cyanophenyl)oct-7-enoyl chloride

C15H16ClNO — CID 173252010

IUPAC8-(4-cyanophenyl)oct-7-enoyl chloride
SMILESN#Cc1ccc(C=CCCCCCC(=O)Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-15(18)7-5-3-1-2-4-6-13-8-10-14(12-17)11-9-13/h4,6,8-11H,1-3,5,7H2
InChIKeyAMGLXSMTGGJTJD-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.29
Rot. Bonds7

About 8-(4-cyanophenyl)oct-7-enoyl chloride

8-(4-cyanophenyl)oct-7-enoyl chloride (PubChem CID 173252010) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 8-(4-cyanophenyl)oct-7-enoyl chloride.

Molecular Properties

Compound Name8-(4-cyanophenyl)oct-7-enoyl chloride
PubChem CID173252010
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name8-(4-cyanophenyl)oct-7-enoyl chloride
SMILESN#Cc1ccc(C=CCCCCCC(=O)Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-15(18)7-5-3-1-2-4-6-13-8-10-14(12-17)11-9-13/h4,6,8-11H,1-3,5,7H2
InChIKeyAMGLXSMTGGJTJD-UHFFFAOYSA-N
XLogP4.29
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-8-(4-cyanophenyl)oct-7-enoic acid
CID 70068307
6-(4-cyanophenyl)hex-5-enoic acid
CID 54023642
4-[(Z)-oct-1-enyl]benzonitrile
CID 10632395
4-[(E)-5-cyanopent-1-enyl]benzonitrile
CID 162402483
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
S-[4-(4-cyanophenyl)but-3-enyl] ethanethioate
CID 170479815
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
S-[3-(4-cyanophenyl)prop-2-enyl] ethanethioate
CID 169456909
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyanophenyl)oct-7-enoyl chloride?
The IUPAC name of 8-(4-cyanophenyl)oct-7-enoyl chloride (CID 173252010) is 8-(4-cyanophenyl)oct-7-enoyl chloride.
What is the SMILES notation for 8-(4-cyanophenyl)oct-7-enoyl chloride?
The canonical SMILES for 8-(4-cyanophenyl)oct-7-enoyl chloride is N#Cc1ccc(C=CCCCCCC(=O)Cl)cc1.
What is the InChIKey of 8-(4-cyanophenyl)oct-7-enoyl chloride?
The InChIKey is AMGLXSMTGGJTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-15(18)7-5-3-1-2-4-6-13-8-10-14(12-17)11-9-13/h4,6,8-11H,1-3,5,7H2.
What are the key properties of 8-(4-cyanophenyl)oct-7-enoyl chloride?
8-(4-cyanophenyl)oct-7-enoyl chloride has a molecular weight of 261.75 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyanophenyl)oct-7-enoyl chloride is sourced from PubChem (CID 173252010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).