2-chloro-3-decyl-4-ethyloxolane

C16H31ClO — CID 23124403

IUPAC2-chloro-3-decyl-4-ethyloxolane
SMILESCCCCCCCCCCC1C(CC)COC1Cl
InChIInChI=1S/C16H31ClO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-18-16(15)17/h14-16H,3-13H2,1-2H3
InChIKeyJLHCDJLCQFDYEC-UHFFFAOYSA-N
MW274.88 g/mol
LogP5.75
Rot. Bonds10

About 2-chloro-3-decyl-4-ethyloxolane

2-chloro-3-decyl-4-ethyloxolane (PubChem CID 23124403) has the molecular formula C16H31ClO and a molecular weight of 274.88 g/mol. Its IUPAC name is 2-chloro-3-decyl-4-ethyloxolane.

Molecular Properties

Compound Name2-chloro-3-decyl-4-ethyloxolane
PubChem CID23124403
Molecular FormulaC16H31ClO
Molecular Weight274.88 g/mol
Exact Mass274.21
IUPAC Name2-chloro-3-decyl-4-ethyloxolane
SMILESCCCCCCCCCCC1C(CC)COC1Cl
InChIInChI=1S/C16H31ClO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-18-16(15)17/h14-16H,3-13H2,1-2H3
InChIKeyJLHCDJLCQFDYEC-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.88
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-decyl-4-ethyloxolane?
The IUPAC name of 2-chloro-3-decyl-4-ethyloxolane (CID 23124403) is 2-chloro-3-decyl-4-ethyloxolane.
What is the SMILES notation for 2-chloro-3-decyl-4-ethyloxolane?
The canonical SMILES for 2-chloro-3-decyl-4-ethyloxolane is CCCCCCCCCCC1C(CC)COC1Cl.
What is the InChIKey of 2-chloro-3-decyl-4-ethyloxolane?
The InChIKey is JLHCDJLCQFDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-18-16(15)17/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-chloro-3-decyl-4-ethyloxolane?
2-chloro-3-decyl-4-ethyloxolane has a molecular weight of 274.88 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-decyl-4-ethyloxolane is sourced from PubChem (CID 23124403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).