5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane

C28H56Cl2O — CID 57241527

IUPAC5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane
SMILESCCCCC(CC)C(Cl)C(OC(C(CC)CC)C(Cl)C(CC)CCCC)C(CC)CC
InChIInChI=1S/C28H56Cl2O/c1-9-17-19-23(15-7)25(29)27(21(11-3)12-4)31-28(22(13-5)14-6)26(30)24(16-8)20-18-10-2/h21-28H,9-20H2,1-8H3
InChIKeyTYGLSBFAWGAMQX-UHFFFAOYSA-N
MW479.66 g/mol
LogP10.26
Rot. Bonds20

About 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane

5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane (PubChem CID 57241527) has the molecular formula C28H56Cl2O and a molecular weight of 479.66 g/mol. Its IUPAC name is 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane.

Molecular Properties

Compound Name5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane
PubChem CID57241527
Molecular FormulaC28H56Cl2O
Molecular Weight479.66 g/mol
Exact Mass478.37
IUPAC Name5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane
SMILESCCCCC(CC)C(Cl)C(OC(C(CC)CC)C(Cl)C(CC)CCCC)C(CC)CC
InChIInChI=1S/C28H56Cl2O/c1-9-17-19-23(15-7)25(29)27(21(11-3)12-4)31-28(22(13-5)14-6)26(30)24(16-8)20-18-10-2/h21-28H,9-20H2,1-8H3
InChIKeyTYGLSBFAWGAMQX-UHFFFAOYSA-N
XLogP10.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.66
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane?
The IUPAC name of 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane (CID 57241527) is 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane.
What is the SMILES notation for 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane?
The canonical SMILES for 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane is CCCCC(CC)C(Cl)C(OC(C(CC)CC)C(Cl)C(CC)CCCC)C(CC)CC.
What is the InChIKey of 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane?
The InChIKey is TYGLSBFAWGAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56Cl2O/c1-9-17-19-23(15-7)25(29)27(21(11-3)12-4)31-28(22(13-5)14-6)26(30)24(16-8)20-18-10-2/h21-28H,9-20H2,1-8H3.
What are the key properties of 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane?
5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane has a molecular weight of 479.66 g/mol, XLogP of 10.26, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane is sourced from PubChem (CID 57241527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).