(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol

C8H11ClO — CID 14162154

IUPAC(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESO[C@@H]1[C@@H](Cl)[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h1,3,5-8,10H,2,4H2/t5-,6+,7+,8+/m1/s1
InChIKeyALCBDQMLFOGWEZ-KVPKETBZSA-N
MW158.63 g/mol
LogP1.55
Rot. Bonds

About (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol

(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol (PubChem CID 14162154) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol.

Molecular Properties

Compound Name(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol
PubChem CID14162154
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol
SMILESO[C@@H]1[C@@H](Cl)[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h1,3,5-8,10H,2,4H2/t5-,6+,7+,8+/m1/s1
InChIKeyALCBDQMLFOGWEZ-KVPKETBZSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.55
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'}

Analyze (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol with MolForge

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Related Compounds

(2R)-1-chloro-4-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 44222067
(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol
CID 130908196
(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 135040007
(+/-)-8,8-Dichlorobicyclo[4.2.0]oct-3-en-7-ol
CID 155801693
(1R,6S,7R)-bicyclo[4.2.0]oct-2-en-7-ol
CID 14044862
(1R,6S,7S)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127271
(1S,6R,7R)-8,8-dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14127272
1,2-Dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 70425911
4,5-Dichlorobicyclo[4.2.0]oct-2-en-7-ol
CID 70425913
(4Z)-10,10-dichlorobicyclo[6.2.0]dec-4-en-9-ol
CID 129274187
(2R)-1,1-dichloro-1-[(1R)-cyclohex-2-en-1-yl]propan-2-ol
CID 163741498
[(4Z)-8-chlorocyclooct-4-en-1-yl]methanol
CID 12869967

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol?
The IUPAC name of (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol (CID 14162154) is (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol.
What is the SMILES notation for (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol?
The canonical SMILES for (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol is O[C@@H]1[C@@H](Cl)[C@@H]2C=CCC[C@H]12.
What is the InChIKey of (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol?
The InChIKey is ALCBDQMLFOGWEZ-KVPKETBZSA-N. The full InChI is InChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6(5)8(7)10/h1,3,5-8,10H,2,4H2/t5-,6+,7+,8+/m1/s1.
What are the key properties of (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol?
(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol has a molecular weight of 158.63 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol is sourced from PubChem (CID 14162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).