(2R)-1-chloropent-4-en-2-ol

C5H9ClO — CID 10887888

IUPAC(2R)-1-chloropent-4-en-2-ol
SMILESC=CC[C@@H](O)CCl
InChIInChI=1S/C5H9ClO/c1-2-3-5(7)4-6/h2,5,7H,1,3-4H2/t5-/m1/s1
InChIKeyRNJUQGWFGIUDIE-RXMQYKEDSA-N
MW120.58 g/mol
LogP1.16
Rot. Bonds3

About (2R)-1-chloropent-4-en-2-ol

(2R)-1-chloropent-4-en-2-ol (PubChem CID 10887888) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is (2R)-1-chloropent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-chloropent-4-en-2-ol
PubChem CID10887888
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name(2R)-1-chloropent-4-en-2-ol
SMILESC=CC[C@@H](O)CCl
InChIInChI=1S/C5H9ClO/c1-2-3-5(7)4-6/h2,5,7H,1,3-4H2/t5-/m1/s1
InChIKeyRNJUQGWFGIUDIE-RXMQYKEDSA-N
XLogP1.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.16
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 (2R)-1-chloropent-4-en-2-ol?
The IUPAC name of (2R)-1-chloropent-4-en-2-ol (CID 10887888) is (2R)-1-chloropent-4-en-2-ol.
What is the SMILES notation for (2R)-1-chloropent-4-en-2-ol?
The canonical SMILES for (2R)-1-chloropent-4-en-2-ol is C=CC[C@@H](O)CCl.
What is the InChIKey of (2R)-1-chloropent-4-en-2-ol?
The InChIKey is RNJUQGWFGIUDIE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-3-5(7)4-6/h2,5,7H,1,3-4H2/t5-/m1/s1.
What are the key properties of (2R)-1-chloropent-4-en-2-ol?
(2R)-1-chloropent-4-en-2-ol has a molecular weight of 120.58 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloropent-4-en-2-ol is sourced from PubChem (CID 10887888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).