3,4-dihydroxycyclohex-3-ene-1-carbaldehyde

C7H10O3 — CID 89008374

IUPAC3,4-dihydroxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CCC(O)=C(O)C1
InChIInChI=1S/C7H10O3/c8-4-5-1-2-6(9)7(10)3-5/h4-5,9-10H,1-3H2
InChIKeyQVOJTDDNVWLRFQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.31
Rot. Bonds1

About 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde

3,4-dihydroxycyclohex-3-ene-1-carbaldehyde (PubChem CID 89008374) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydroxycyclohex-3-ene-1-carbaldehyde
PubChem CID89008374
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,4-dihydroxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CCC(O)=C(O)C1
InChIInChI=1S/C7H10O3/c8-4-5-1-2-6(9)7(10)3-5/h4-5,9-10H,1-3H2
InChIKeyQVOJTDDNVWLRFQ-UHFFFAOYSA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
4-[(4-chlorophenyl)methyl]-5-hydroxycyclohept-4-ene-1-carbaldehyde;methanol
CID 142954611
4-methyliminocyclohexane-1-carbaldehyde
CID 163688514
1,1,2-trioxothiane-4-carbaldehyde
CID 87798845
cyclooctane-1,5-dicarbaldehyde
CID 18542113
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838
cyclodecanecarbaldehyde
CID 13240747
cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
1-methyl-7-oxoazepane-4-carbaldehyde
CID 144521999
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
cyclooctane-1,4-dicarbaldehyde
CID 19884381

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde (CID 89008374) is 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde is O=CC1CCC(O)=C(O)C1.
What is the InChIKey of 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is QVOJTDDNVWLRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-5-1-2-6(9)7(10)3-5/h4-5,9-10H,1-3H2.
What are the key properties of 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde?
3,4-dihydroxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 142.15 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 89008374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).