5-hydroxycyclononane-1-carbaldehyde

C10H18O2 — CID 90716773

IUPAC5-hydroxycyclononane-1-carbaldehyde
SMILESO=CC1CCCCC(O)CCC1
InChIInChI=1S/C10H18O2/c11-8-9-4-1-2-6-10(12)7-3-5-9/h8-10,12H,1-7H2
InChIKeyBVUQTFXYBZJUPD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds1

About 5-hydroxycyclononane-1-carbaldehyde

5-hydroxycyclononane-1-carbaldehyde (PubChem CID 90716773) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-hydroxycyclononane-1-carbaldehyde.

Molecular Properties

Compound Name5-hydroxycyclononane-1-carbaldehyde
PubChem CID90716773
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-hydroxycyclononane-1-carbaldehyde
SMILESO=CC1CCCCC(O)CCC1
InChIInChI=1S/C10H18O2/c11-8-9-4-1-2-6-10(12)7-3-5-9/h8-10,12H,1-7H2
InChIKeyBVUQTFXYBZJUPD-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclohexanol;cyclooctanol
CID 22461579
cyclohexanecarbaldehyde;dihydroxydiazene
CID 173217705
benzene;cyclohexanecarbaldehyde
CID 174845063
cyclohexanol;oxaldehydic acid
CID 155713163
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;iron
CID 146901686

Frequently Asked Questions

What is the IUPAC name of 5-hydroxycyclononane-1-carbaldehyde?
The IUPAC name of 5-hydroxycyclononane-1-carbaldehyde (CID 90716773) is 5-hydroxycyclononane-1-carbaldehyde.
What is the SMILES notation for 5-hydroxycyclononane-1-carbaldehyde?
The canonical SMILES for 5-hydroxycyclononane-1-carbaldehyde is O=CC1CCCCC(O)CCC1.
What is the InChIKey of 5-hydroxycyclononane-1-carbaldehyde?
The InChIKey is BVUQTFXYBZJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-9-4-1-2-6-10(12)7-3-5-9/h8-10,12H,1-7H2.
What are the key properties of 5-hydroxycyclononane-1-carbaldehyde?
5-hydroxycyclononane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxycyclononane-1-carbaldehyde is sourced from PubChem (CID 90716773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).