4-ethyltetradecanedioyl dichloride

C16H28Cl2O2 — CID 87116546

IUPAC4-ethyltetradecanedioyl dichloride
SMILESCCC(CCCCCCCCCC(=O)Cl)CCC(=O)Cl
InChIInChI=1S/C16H28Cl2O2/c1-2-14(12-13-16(18)20)10-8-6-4-3-5-7-9-11-15(17)19/h14H,2-13H2,1H3
InChIKeySRFKYISLSTYSQD-UHFFFAOYSA-N
MW323.30 g/mol
LogP5.83
Rot. Bonds14

About 4-ethyltetradecanedioyl dichloride

4-ethyltetradecanedioyl dichloride (PubChem CID 87116546) has the molecular formula C16H28Cl2O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-ethyltetradecanedioyl dichloride.

Molecular Properties

Compound Name4-ethyltetradecanedioyl dichloride
PubChem CID87116546
Molecular FormulaC16H28Cl2O2
Molecular Weight323.30 g/mol
Exact Mass322.15
IUPAC Name4-ethyltetradecanedioyl dichloride
SMILESCCC(CCCCCCCCCC(=O)Cl)CCC(=O)Cl
InChIInChI=1S/C16H28Cl2O2/c1-2-14(12-13-16(18)20)10-8-6-4-3-5-7-9-11-15(17)19/h14H,2-13H2,1H3
InChIKeySRFKYISLSTYSQD-UHFFFAOYSA-N
XLogP5.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.30
LogP ≤ 55.83
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

15-ethylnonacosanediamide
CID 141183964
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
azane;7-ethyloctadecanedioic acid
CID 173365453
8-methylhexadecanedioyl dichloride
CID 139686539
2,3-diethylheptadecanedioyl dichloride
CID 87116823
5-ethyldecanedioic acid
CID 54495296
5-ethylundecan-2-one
CID 90150873
7-ethyldodecanoic acid
CID 5282689
9-ethyloctadecanoic acid
CID 11045212
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
2-methyldecanedioyl dichloride
CID 21217366
nonadecanoyl chloride
CID 4250939

Frequently Asked Questions

What is the IUPAC name of 4-ethyltetradecanedioyl dichloride?
The IUPAC name of 4-ethyltetradecanedioyl dichloride (CID 87116546) is 4-ethyltetradecanedioyl dichloride.
What is the SMILES notation for 4-ethyltetradecanedioyl dichloride?
The canonical SMILES for 4-ethyltetradecanedioyl dichloride is CCC(CCCCCCCCCC(=O)Cl)CCC(=O)Cl.
What is the InChIKey of 4-ethyltetradecanedioyl dichloride?
The InChIKey is SRFKYISLSTYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Cl2O2/c1-2-14(12-13-16(18)20)10-8-6-4-3-5-7-9-11-15(17)19/h14H,2-13H2,1H3.
What are the key properties of 4-ethyltetradecanedioyl dichloride?
4-ethyltetradecanedioyl dichloride has a molecular weight of 323.30 g/mol, XLogP of 5.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltetradecanedioyl dichloride is sourced from PubChem (CID 87116546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).