2-chloro-3-decyl-4-methyloxolane

C15H29ClO — CID 23124342

IUPAC2-chloro-3-decyl-4-methyloxolane
SMILESCCCCCCCCCCC1C(C)COC1Cl
InChIInChI=1S/C15H29ClO/c1-3-4-5-6-7-8-9-10-11-14-13(2)12-17-15(14)16/h13-15H,3-12H2,1-2H3
InChIKeyDDTKRHJKRTWFSD-UHFFFAOYSA-N
MW260.85 g/mol
LogP5.36
Rot. Bonds9

About 2-chloro-3-decyl-4-methyloxolane

2-chloro-3-decyl-4-methyloxolane (PubChem CID 23124342) has the molecular formula C15H29ClO and a molecular weight of 260.85 g/mol. Its IUPAC name is 2-chloro-3-decyl-4-methyloxolane.

Molecular Properties

Compound Name2-chloro-3-decyl-4-methyloxolane
PubChem CID23124342
Molecular FormulaC15H29ClO
Molecular Weight260.85 g/mol
Exact Mass260.19
IUPAC Name2-chloro-3-decyl-4-methyloxolane
SMILESCCCCCCCCCCC1C(C)COC1Cl
InChIInChI=1S/C15H29ClO/c1-3-4-5-6-7-8-9-10-11-14-13(2)12-17-15(14)16/h13-15H,3-12H2,1-2H3
InChIKeyDDTKRHJKRTWFSD-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.85
LogP ≤ 55.36
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-methyloxolane?
The IUPAC name of 2-chloro-3-decyl-4-methyloxolane (CID 23124342) is 2-chloro-3-decyl-4-methyloxolane.
What is the SMILES notation for 2-chloro-3-decyl-4-methyloxolane?
The canonical SMILES for 2-chloro-3-decyl-4-methyloxolane is CCCCCCCCCCC1C(C)COC1Cl.
What is the InChIKey of 2-chloro-3-decyl-4-methyloxolane?
The InChIKey is DDTKRHJKRTWFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClO/c1-3-4-5-6-7-8-9-10-11-14-13(2)12-17-15(14)16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-chloro-3-decyl-4-methyloxolane?
2-chloro-3-decyl-4-methyloxolane has a molecular weight of 260.85 g/mol, XLogP of 5.36, 9 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-methyloxolane is sourced from PubChem (CID 23124342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).