undec-10-enyl 4-chlorobutanoate

C15H27ClO2 — CID 16656319

IUPACundec-10-enyl 4-chlorobutanoate
SMILESC=CCCCCCCCCCOC(=O)CCCCl
InChIInChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2H,1,3-14H2
InChIKeyCUGWHYJZQSVGIQ-UHFFFAOYSA-N
MW274.83 g/mol
LogP4.86
Rot. Bonds13

About undec-10-enyl 4-chlorobutanoate

undec-10-enyl 4-chlorobutanoate (PubChem CID 16656319) has the molecular formula C15H27ClO2 and a molecular weight of 274.83 g/mol. Its IUPAC name is undec-10-enyl 4-chlorobutanoate.

Molecular Properties

Compound Nameundec-10-enyl 4-chlorobutanoate
PubChem CID16656319
Molecular FormulaC15H27ClO2
Molecular Weight274.83 g/mol
Exact Mass274.17
IUPAC Nameundec-10-enyl 4-chlorobutanoate
SMILESC=CCCCCCCCCCOC(=O)CCCCl
InChIInChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2H,1,3-14H2
InChIKeyCUGWHYJZQSVGIQ-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.83
LogP ≤ 54.86
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

Succinic acid, 8-chlorooctyl but-3-en-1-yl ester
CID 91692636
Succinic acid, 8-chlorooctyl pent-4-en-1-yl ester
CID 91694478
Succinic acid, 8-chlorooctyl hex-5-en-1-yl ester
CID 91701886
Glutaric acid, 10-chlorodecyl dec-9-enyl ester
CID 91705669
3-Chloropropionic acid, 10-undecenyl ester
CID 543975
[(E)-8-chlorooct-7-enyl] acetate
CID 10856619
Chloroacetic acid, 10-undecenyl ester
CID 244467
Glutaric acid, 8-chlorooctyl dec-9-enyl ester
CID 91705659
Glutaric acid, hex-5-en-1-yl 8-chlorooctyl ester
CID 91705667
1-Chloro-4-acetoxy-8-nonene
CID 20386074
Octadec-9-enyl 3-chloropropanoate
CID 53971148
Ethyl 9-chloronon-8-enoate
CID 57225294

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 4-chlorobutanoate?
The IUPAC name of undec-10-enyl 4-chlorobutanoate (CID 16656319) is undec-10-enyl 4-chlorobutanoate.
What is the SMILES notation for undec-10-enyl 4-chlorobutanoate?
The canonical SMILES for undec-10-enyl 4-chlorobutanoate is C=CCCCCCCCCCOC(=O)CCCCl.
What is the InChIKey of undec-10-enyl 4-chlorobutanoate?
The InChIKey is CUGWHYJZQSVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2H,1,3-14H2.
What are the key properties of undec-10-enyl 4-chlorobutanoate?
undec-10-enyl 4-chlorobutanoate has a molecular weight of 274.83 g/mol, XLogP of 4.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 4-chlorobutanoate is sourced from PubChem (CID 16656319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).