(2S)-1,1-dichloropent-4-en-2-ol

C5H8Cl2O — CID 164666190

IUPAC(2S)-1,1-dichloropent-4-en-2-ol
SMILESC=CC[C@H](O)C(Cl)Cl
InChIInChI=1S/C5H8Cl2O/c1-2-3-4(8)5(6)7/h2,4-5,8H,1,3H2/t4-/m0/s1
InChIKeyXZCMLZDXPDFWAV-BYPYZUCNSA-N
MW155.02 g/mol
LogP1.73
Rot. Bonds3

About (2S)-1,1-dichloropent-4-en-2-ol

(2S)-1,1-dichloropent-4-en-2-ol (PubChem CID 164666190) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is (2S)-1,1-dichloropent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1,1-dichloropent-4-en-2-ol
PubChem CID164666190
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name(2S)-1,1-dichloropent-4-en-2-ol
SMILESC=CC[C@H](O)C(Cl)Cl
InChIInChI=1S/C5H8Cl2O/c1-2-3-4(8)5(6)7/h2,4-5,8H,1,3H2/t4-/m0/s1
InChIKeyXZCMLZDXPDFWAV-BYPYZUCNSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dichloropent-4-en-2-ol?
The IUPAC name of (2S)-1,1-dichloropent-4-en-2-ol (CID 164666190) is (2S)-1,1-dichloropent-4-en-2-ol.
What is the SMILES notation for (2S)-1,1-dichloropent-4-en-2-ol?
The canonical SMILES for (2S)-1,1-dichloropent-4-en-2-ol is C=CC[C@H](O)C(Cl)Cl.
What is the InChIKey of (2S)-1,1-dichloropent-4-en-2-ol?
The InChIKey is XZCMLZDXPDFWAV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8Cl2O/c1-2-3-4(8)5(6)7/h2,4-5,8H,1,3H2/t4-/m0/s1.
What are the key properties of (2S)-1,1-dichloropent-4-en-2-ol?
(2S)-1,1-dichloropent-4-en-2-ol has a molecular weight of 155.02 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dichloropent-4-en-2-ol is sourced from PubChem (CID 164666190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).