3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde

C9H14O2 — CID 149368057

IUPAC3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
SMILESO=CC1CC2CC(O)CC1C2
InChIInChI=1S/C9H14O2/c10-5-8-2-6-1-7(8)4-9(11)3-6/h5-9,11H,1-4H2
InChIKeyYJGGRCWZNVHXFW-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.98
Rot. Bonds1

About 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde

3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde (PubChem CID 149368057) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde.

Molecular Properties

Compound Name3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
PubChem CID149368057
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
SMILESO=CC1CC2CC(O)CC1C2
InChIInChI=1S/C9H14O2/c10-5-8-2-6-1-7(8)4-9(11)3-6/h5-9,11H,1-4H2
InChIKeyYJGGRCWZNVHXFW-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.98
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 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde?
The IUPAC name of 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde (CID 149368057) is 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde.
What is the SMILES notation for 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde?
The canonical SMILES for 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde is O=CC1CC2CC(O)CC1C2.
What is the InChIKey of 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde?
The InChIKey is YJGGRCWZNVHXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-5-8-2-6-1-7(8)4-9(11)3-6/h5-9,11H,1-4H2.
What are the key properties of 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde?
3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde is sourced from PubChem (CID 149368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).