(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol

C11H17ClO3 — CID 102291860

IUPAC(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol
SMILESC=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCCCl)O1
InChIInChI=1S/C11H17ClO3/c1-2-10-7-9(13)8-11(15-10)3-5-14-6-4-12/h2-3,5,9-11,13H,1,4,6-8H2/b5-3-/t9-,10+,11-/m0/s1
InChIKeyJVXRRDCRWIPKFR-QAPHZKFDSA-N
MW232.71 g/mol
LogP1.85
Rot. Bonds5

About (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol

(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol (PubChem CID 102291860) has the molecular formula C11H17ClO3 and a molecular weight of 232.71 g/mol. Its IUPAC name is (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol
PubChem CID102291860
Molecular FormulaC11H17ClO3
Molecular Weight232.71 g/mol
Exact Mass232.09
IUPAC Name(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol
SMILESC=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCCCl)O1
InChIInChI=1S/C11H17ClO3/c1-2-10-7-9(13)8-11(15-10)3-5-14-6-4-12/h2-3,5,9-11,13H,1,4,6-8H2/b5-3-/t9-,10+,11-/m0/s1
InChIKeyJVXRRDCRWIPKFR-QAPHZKFDSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol?
The IUPAC name of (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol (CID 102291860) is (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol.
What is the SMILES notation for (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol?
The canonical SMILES for (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol is C=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCCCl)O1.
What is the InChIKey of (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol?
The InChIKey is JVXRRDCRWIPKFR-QAPHZKFDSA-N. The full InChI is InChI=1S/C11H17ClO3/c1-2-10-7-9(13)8-11(15-10)3-5-14-6-4-12/h2-3,5,9-11,13H,1,4,6-8H2/b5-3-/t9-,10+,11-/m0/s1.
What are the key properties of (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol?
(2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol has a molecular weight of 232.71 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2-[(Z)-2-(2-chloroethoxy)ethenyl]-6-ethenyloxan-4-ol is sourced from PubChem (CID 102291860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).