cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde

C7H10Cl2O3 — CID 175601399

IUPACcis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H](O)C(O)C(Cl)C1Cl
InChIInChI=1S/C7H10Cl2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h2-7,11-12H,1H2/t3-,4+,5?,6?,7?/m1/s1
InChIKeyOWOOMQCEWPUNMV-AEYVIUQBSA-N
MW213.06 g/mol
LogP0.14
Rot. Bonds1

About cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde

cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde (PubChem CID 175601399) has the molecular formula C7H10Cl2O3 and a molecular weight of 213.06 g/mol. Its IUPAC name is cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde
PubChem CID175601399
Molecular FormulaC7H10Cl2O3
Molecular Weight213.06 g/mol
Exact Mass212.00
IUPAC Namecis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H](O)C(O)C(Cl)C1Cl
InChIInChI=1S/C7H10Cl2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h2-7,11-12H,1H2/t3-,4+,5?,6?,7?/m1/s1
InChIKeyOWOOMQCEWPUNMV-AEYVIUQBSA-N
XLogP0.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142182365
2-chloro-3-hydroxy-4-methylidenecyclohexane-1-carbaldehyde
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2-(4-hydroxyphenyl)cyclopropane-1-carbaldehyde
CID 75532034
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 22129630
(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde
CID 57160158
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
CID 149368057
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
CID 45102944
2-tert-butylcyclobutane-1-carbaldehyde
CID 123563535
actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
CID 18720250

Frequently Asked Questions

What is the IUPAC name of cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde (CID 175601399) is cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde is O=C[C@H]1C[C@H](O)C(O)C(Cl)C1Cl.
What is the InChIKey of cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde?
The InChIKey is OWOOMQCEWPUNMV-AEYVIUQBSA-N. The full InChI is InChI=1S/C7H10Cl2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h2-7,11-12H,1H2/t3-,4+,5?,6?,7?/m1/s1.
What are the key properties of cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde?
cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde has a molecular weight of 213.06 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,5S)-2,3-dichloro-4,5-dihydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 175601399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).