(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol

C6H8Cl2O3 — CID 130847537

IUPAC(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESO[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](Cl)[C@H]1Cl
InChIInChI=1S/C6H8Cl2O3/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-6,9H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyQAMKFZXQFHQFJE-QZABAPFNSA-N
MW199.03 g/mol
LogP0.32
Rot. Bonds

About (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol

(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 130847537) has the molecular formula C6H8Cl2O3 and a molecular weight of 199.03 g/mol. Its IUPAC name is (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID130847537
Molecular FormulaC6H8Cl2O3
Molecular Weight199.03 g/mol
Exact Mass197.99
IUPAC Name(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESO[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](Cl)[C@H]1Cl
InChIInChI=1S/C6H8Cl2O3/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-6,9H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyQAMKFZXQFHQFJE-QZABAPFNSA-N
XLogP0.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 4867520
(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 67699212
(1S,2S,4R,5S,6R)-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonan-5-ol
CID 55284858
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602
(1R,2R,3S,4R,5R)-4-chloro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10880183
(1R,2S,3R,4S,5R)-4-iodo-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 126969579
(1R,2S,3R,4S,5R)-4-amino-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 131124130
(1R,4R,5S,6R,7R,8R,11R,12S,13R,14R,15R,18R,19S,20R,21R,22R,25R,26S,27R,28R,29R,32R,33S,34R,35R,36R,39R,40S,41R,42R)-7,14,21,28,35,42-hexaamino-2,9,16,23,30,37,43,44,45,46,47,48-dodecaoxaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetracontane-5,6,12,13,19,20,26,27,33,34,40,41-dodecol
CID 46242229
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol (CID 130847537) is (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol is O[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](Cl)[C@H]1Cl.
What is the InChIKey of (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is QAMKFZXQFHQFJE-QZABAPFNSA-N. The full InChI is InChI=1S/C6H8Cl2O3/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-6,9H,1H2/t2-,3-,4-,5-,6-/m1/s1.
What are the key properties of (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol?
(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 199.03 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 130847537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).