(3S)-3-chlorooxolane

C4H7ClO — CID 86312343

IUPAC(3S)-3-chlorooxolane
SMILESCl[C@H]1CCOC1
InChIInChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2/t4-/m0/s1
InChIKeyFPHNWFFKQCPXPI-BYPYZUCNSA-N
MW106.55 g/mol
LogP1.01
Rot. Bonds

About (3S)-3-chlorooxolane

(3S)-3-chlorooxolane (PubChem CID 86312343) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (3S)-3-chlorooxolane.

Molecular Properties

Compound Name(3S)-3-chlorooxolane
PubChem CID86312343
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(3S)-3-chlorooxolane
SMILESCl[C@H]1CCOC1
InChIInChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2/t4-/m0/s1
InChIKeyFPHNWFFKQCPXPI-BYPYZUCNSA-N
XLogP1.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.01
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 (3S)-3-chlorooxolane?
The IUPAC name of (3S)-3-chlorooxolane (CID 86312343) is (3S)-3-chlorooxolane.
What is the SMILES notation for (3S)-3-chlorooxolane?
The canonical SMILES for (3S)-3-chlorooxolane is Cl[C@H]1CCOC1.
What is the InChIKey of (3S)-3-chlorooxolane?
The InChIKey is FPHNWFFKQCPXPI-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-chlorooxolane?
(3S)-3-chlorooxolane has a molecular weight of 106.55 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chlorooxolane is sourced from PubChem (CID 86312343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).