(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol

C7H11ClO2 — CID 154223308

IUPAC(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@@H](OCCCl)C1
InChIInChI=1S/C7H11ClO2/c8-3-4-10-7-2-1-6(9)5-7/h1-2,6-7,9H,3-5H2/t6-,7-/m1/s1
InChIKeyZGQBBRYOILFBQD-RNFRBKRXSA-N
MW162.62 g/mol
LogP0.93
Rot. Bonds3

About (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol

(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol (PubChem CID 154223308) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol
PubChem CID154223308
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@@H](OCCCl)C1
InChIInChI=1S/C7H11ClO2/c8-3-4-10-7-2-1-6(9)5-7/h1-2,6-7,9H,3-5H2/t6-,7-/m1/s1
InChIKeyZGQBBRYOILFBQD-RNFRBKRXSA-N
XLogP0.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol (CID 154223308) is (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol is O[C@@H]1C=C[C@@H](OCCCl)C1.
What is the InChIKey of (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol?
The InChIKey is ZGQBBRYOILFBQD-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-3-4-10-7-2-1-6(9)5-7/h1-2,6-7,9H,3-5H2/t6-,7-/m1/s1.
What are the key properties of (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol?
(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol has a molecular weight of 162.62 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 154223308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).