1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde

C9H10O6 — CID 175477433

IUPAC1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde
SMILESO=CC1C(O)(C=O)C=C(O)CC1(O)C=O
InChIInChI=1S/C9H10O6/c10-3-7-8(14,4-11)1-6(13)2-9(7,15)5-12/h1,3-5,7,13-15H,2H2
InChIKeyXQXZIQZTZYJCID-UHFFFAOYSA-N
MW214.17 g/mol
LogP-1.49
Rot. Bonds3

About 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde

1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde (PubChem CID 175477433) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde.

Molecular Properties

Compound Name1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde
PubChem CID175477433
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde
SMILESO=CC1C(O)(C=O)C=C(O)CC1(O)C=O
InChIInChI=1S/C9H10O6/c10-3-7-8(14,4-11)1-6(13)2-9(7,15)5-12/h1,3-5,7,13-15H,2H2
InChIKeyXQXZIQZTZYJCID-UHFFFAOYSA-N
XLogP-1.49
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,5-dihydroxycyclohexa-2,4-diene-1-carbaldehyde;hydrate
CID 88824641
2,3,4-trihydroxypiperidine-2-carbaldehyde
CID 174706706
5-hydroxycyclohexa-1,3-diene-1,3,5-tricarbaldehyde
CID 175513369
3,3,5,5-tetramethylcyclohexene-1,4-diol
CID 161229886
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
CID 45083540
3,3-dihydroxyoxirane-2-carbaldehyde
CID 90241709
3,3-dihydroxy-4H-naphthalene-1-carbaldehyde
CID 57313267
6-tert-butyl-1-hydroxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 139799810
2,3-dihydroxythiane-3-carbaldehyde
CID 174781632
3-methylcyclopent-3-ene-1,1-dicarbaldehyde
CID 89079539
1-chlorocyclohexa-3,5-diene-1,3-diol
CID 69203457

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde?
The IUPAC name of 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde (CID 175477433) is 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde.
What is the SMILES notation for 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde?
The canonical SMILES for 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde is O=CC1C(O)(C=O)C=C(O)CC1(O)C=O.
What is the InChIKey of 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde?
The InChIKey is XQXZIQZTZYJCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c10-3-7-8(14,4-11)1-6(13)2-9(7,15)5-12/h1,3-5,7,13-15H,2H2.
What are the key properties of 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde?
1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde has a molecular weight of 214.17 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde is sourced from PubChem (CID 175477433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).