(2S)-2-(3-chloropropyl)pent-4-en-1-ol

C8H15ClO — CID 55300898

IUPAC(2S)-2-(3-chloropropyl)pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CCCCl
InChIInChI=1S/C8H15ClO/c1-2-4-8(7-10)5-3-6-9/h2,8,10H,1,3-7H2/t8-/m1/s1
InChIKeyMUEBOLLUGXOQCP-MRVPVSSYSA-N
MW162.66 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-(3-chloropropyl)pent-4-en-1-ol

(2S)-2-(3-chloropropyl)pent-4-en-1-ol (PubChem CID 55300898) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (2S)-2-(3-chloropropyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-chloropropyl)pent-4-en-1-ol
PubChem CID55300898
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-(3-chloropropyl)pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CCCCl
InChIInChI=1S/C8H15ClO/c1-2-4-8(7-10)5-3-6-9/h2,8,10H,1,3-7H2/t8-/m1/s1
InChIKeyMUEBOLLUGXOQCP-MRVPVSSYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.19
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)-2-(3-chloropropyl)pent-4-en-1-ol?
The IUPAC name of (2S)-2-(3-chloropropyl)pent-4-en-1-ol (CID 55300898) is (2S)-2-(3-chloropropyl)pent-4-en-1-ol.
What is the SMILES notation for (2S)-2-(3-chloropropyl)pent-4-en-1-ol?
The canonical SMILES for (2S)-2-(3-chloropropyl)pent-4-en-1-ol is C=CC[C@@H](CO)CCCCl.
What is the InChIKey of (2S)-2-(3-chloropropyl)pent-4-en-1-ol?
The InChIKey is MUEBOLLUGXOQCP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-2-4-8(7-10)5-3-6-9/h2,8,10H,1,3-7H2/t8-/m1/s1.
What are the key properties of (2S)-2-(3-chloropropyl)pent-4-en-1-ol?
(2S)-2-(3-chloropropyl)pent-4-en-1-ol has a molecular weight of 162.66 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloropropyl)pent-4-en-1-ol is sourced from PubChem (CID 55300898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).