9-(5-chlorothiophen-2-yl)nonanoate

C13H18ClO2S- — CID 7038793

IUPAC9-(5-chlorothiophen-2-yl)nonanoate
SMILESO=C([O-])CCCCCCCCc1ccc(Cl)s1
InChIInChI=1S/C13H19ClO2S/c14-12-10-9-11(17-12)7-5-3-1-2-4-6-8-13(15)16/h9-10H,1-8H2,(H,15,16)/p-1
InChIKeyYNRIKGNXVYGENF-UHFFFAOYSA-M
MW273.80 g/mol
LogP3.42
Rot. Bonds9

About 9-(5-chlorothiophen-2-yl)nonanoate

9-(5-chlorothiophen-2-yl)nonanoate (PubChem CID 7038793) has the molecular formula C13H18ClO2S- and a molecular weight of 273.80 g/mol. Its IUPAC name is 9-(5-chlorothiophen-2-yl)nonanoate.

Molecular Properties

Compound Name9-(5-chlorothiophen-2-yl)nonanoate
PubChem CID7038793
Molecular FormulaC13H18ClO2S-
Molecular Weight273.80 g/mol
Exact Mass273.07
IUPAC Name9-(5-chlorothiophen-2-yl)nonanoate
SMILESO=C([O-])CCCCCCCCc1ccc(Cl)s1
InChIInChI=1S/C13H19ClO2S/c14-12-10-9-11(17-12)7-5-3-1-2-4-6-8-13(15)16/h9-10H,1-8H2,(H,15,16)/p-1
InChIKeyYNRIKGNXVYGENF-UHFFFAOYSA-M
XLogP3.42
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(5-chlorothiophen-2-yl)nonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
6-(5-propanoylthiophen-2-yl)hexanoate
CID 2173300
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
CID 112518605
1-(5-chlorothiophen-2-yl)tridecan-2-one
CID 114967561
2-[4-(5-chlorothiophen-2-yl)butyl]guanidine
CID 95448839
tridecanedioate
CID 6994474
ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
CID 106036708
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785

Frequently Asked Questions

What is the IUPAC name of 9-(5-chlorothiophen-2-yl)nonanoate?
The IUPAC name of 9-(5-chlorothiophen-2-yl)nonanoate (CID 7038793) is 9-(5-chlorothiophen-2-yl)nonanoate.
What is the SMILES notation for 9-(5-chlorothiophen-2-yl)nonanoate?
The canonical SMILES for 9-(5-chlorothiophen-2-yl)nonanoate is O=C([O-])CCCCCCCCc1ccc(Cl)s1.
What is the InChIKey of 9-(5-chlorothiophen-2-yl)nonanoate?
The InChIKey is YNRIKGNXVYGENF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19ClO2S/c14-12-10-9-11(17-12)7-5-3-1-2-4-6-8-13(15)16/h9-10H,1-8H2,(H,15,16)/p-1.
What are the key properties of 9-(5-chlorothiophen-2-yl)nonanoate?
9-(5-chlorothiophen-2-yl)nonanoate has a molecular weight of 273.80 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chlorothiophen-2-yl)nonanoate is sourced from PubChem (CID 7038793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).