1-hydroxycyclooctane-1-carbaldehyde

C9H16O2 — CID 130025311

IUPAC1-hydroxycyclooctane-1-carbaldehyde
SMILESO=CC1(O)CCCCCCC1
InChIInChI=1S/C9H16O2/c10-8-9(11)6-4-2-1-3-5-7-9/h8,11H,1-7H2
InChIKeyVRABNULBFVAHSD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.66
Rot. Bonds1

About 1-hydroxycyclooctane-1-carbaldehyde

1-hydroxycyclooctane-1-carbaldehyde (PubChem CID 130025311) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-hydroxycyclooctane-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxycyclooctane-1-carbaldehyde
PubChem CID130025311
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-hydroxycyclooctane-1-carbaldehyde
SMILESO=CC1(O)CCCCCCC1
InChIInChI=1S/C9H16O2/c10-8-9(11)6-4-2-1-3-5-7-9/h8,11H,1-7H2
InChIKeyVRABNULBFVAHSD-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclooctane-1-carbaldehyde?
The IUPAC name of 1-hydroxycyclooctane-1-carbaldehyde (CID 130025311) is 1-hydroxycyclooctane-1-carbaldehyde.
What is the SMILES notation for 1-hydroxycyclooctane-1-carbaldehyde?
The canonical SMILES for 1-hydroxycyclooctane-1-carbaldehyde is O=CC1(O)CCCCCCC1.
What is the InChIKey of 1-hydroxycyclooctane-1-carbaldehyde?
The InChIKey is VRABNULBFVAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-9(11)6-4-2-1-3-5-7-9/h8,11H,1-7H2.
What are the key properties of 1-hydroxycyclooctane-1-carbaldehyde?
1-hydroxycyclooctane-1-carbaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclooctane-1-carbaldehyde is sourced from PubChem (CID 130025311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).