(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol

C8H13ClO — CID 55301854

IUPAC(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(CCCl)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C8H13ClO/c9-5-4-8(10)6-2-1-3-7(6)8/h6-7,10H,1-5H2/t6-,7+,8?
InChIKeyVWFGPFOTRDAEMY-DHBOJHSNSA-N
MW160.64 g/mol
LogP1.78
Rot. Bonds2

About (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol

(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 55301854) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID55301854
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(CCCl)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C8H13ClO/c9-5-4-8(10)6-2-1-3-7(6)8/h6-7,10H,1-5H2/t6-,7+,8?
InChIKeyVWFGPFOTRDAEMY-DHBOJHSNSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol (CID 55301854) is (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol is OC1(CCCl)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is VWFGPFOTRDAEMY-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H13ClO/c9-5-4-8(10)6-2-1-3-7(6)8/h6-7,10H,1-5H2/t6-,7+,8?.
What are the key properties of (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol?
(1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 160.64 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(2-chloroethyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 55301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).