(4R,5S)-8-chloro-5-ethenyloctan-4-ol

C10H19ClO — CID 134895902

IUPAC(4R,5S)-8-chloro-5-ethenyloctan-4-ol
SMILESC=C[C@H](CCCCl)[C@H](O)CCC
InChIInChI=1S/C10H19ClO/c1-3-6-10(12)9(4-2)7-5-8-11/h4,9-10,12H,2-3,5-8H2,1H3/t9-,10-/m1/s1
InChIKeyXPPKKLOSSMQWAR-NXEZZACHSA-N
MW190.71 g/mol
LogP2.97
Rot. Bonds7

About (4R,5S)-8-chloro-5-ethenyloctan-4-ol

(4R,5S)-8-chloro-5-ethenyloctan-4-ol (PubChem CID 134895902) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (4R,5S)-8-chloro-5-ethenyloctan-4-ol.

Molecular Properties

Compound Name(4R,5S)-8-chloro-5-ethenyloctan-4-ol
PubChem CID134895902
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(4R,5S)-8-chloro-5-ethenyloctan-4-ol
SMILESC=C[C@H](CCCCl)[C@H](O)CCC
InChIInChI=1S/C10H19ClO/c1-3-6-10(12)9(4-2)7-5-8-11/h4,9-10,12H,2-3,5-8H2,1H3/t9-,10-/m1/s1
InChIKeyXPPKKLOSSMQWAR-NXEZZACHSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 52.97
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 (4R,5S)-8-chloro-5-ethenyloctan-4-ol?
The IUPAC name of (4R,5S)-8-chloro-5-ethenyloctan-4-ol (CID 134895902) is (4R,5S)-8-chloro-5-ethenyloctan-4-ol.
What is the SMILES notation for (4R,5S)-8-chloro-5-ethenyloctan-4-ol?
The canonical SMILES for (4R,5S)-8-chloro-5-ethenyloctan-4-ol is C=C[C@H](CCCCl)[C@H](O)CCC.
What is the InChIKey of (4R,5S)-8-chloro-5-ethenyloctan-4-ol?
The InChIKey is XPPKKLOSSMQWAR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19ClO/c1-3-6-10(12)9(4-2)7-5-8-11/h4,9-10,12H,2-3,5-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (4R,5S)-8-chloro-5-ethenyloctan-4-ol?
(4R,5S)-8-chloro-5-ethenyloctan-4-ol has a molecular weight of 190.71 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-8-chloro-5-ethenyloctan-4-ol is sourced from PubChem (CID 134895902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).