2-chloro-3-decyloxolane

C14H27ClO — CID 23124341

IUPAC2-chloro-3-decyloxolane
SMILESCCCCCCCCCCC1CCOC1Cl
InChIInChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h13-14H,2-12H2,1H3
InChIKeyIEMIOLAMEXOORR-UHFFFAOYSA-N
MW246.82 g/mol
LogP5.12
Rot. Bonds9

About 2-chloro-3-decyloxolane

2-chloro-3-decyloxolane (PubChem CID 23124341) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 2-chloro-3-decyloxolane.

Molecular Properties

Compound Name2-chloro-3-decyloxolane
PubChem CID23124341
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name2-chloro-3-decyloxolane
SMILESCCCCCCCCCCC1CCOC1Cl
InChIInChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h13-14H,2-12H2,1H3
InChIKeyIEMIOLAMEXOORR-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.82
LogP ≤ 55.12
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-decyloxolane?
The IUPAC name of 2-chloro-3-decyloxolane (CID 23124341) is 2-chloro-3-decyloxolane.
What is the SMILES notation for 2-chloro-3-decyloxolane?
The canonical SMILES for 2-chloro-3-decyloxolane is CCCCCCCCCCC1CCOC1Cl.
What is the InChIKey of 2-chloro-3-decyloxolane?
The InChIKey is IEMIOLAMEXOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h13-14H,2-12H2,1H3.
What are the key properties of 2-chloro-3-decyloxolane?
2-chloro-3-decyloxolane has a molecular weight of 246.82 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-decyloxolane is sourced from PubChem (CID 23124341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).