spiro[4.5]decane-8-carbaldehyde

C11H18O — CID 58870319

IUPACspiro[4.5]decane-8-carbaldehyde
SMILESO=CC1CCC2(CCCC2)CC1
InChIInChI=1S/C11H18O/c12-9-10-3-7-11(8-4-10)5-1-2-6-11/h9-10H,1-8H2
InChIKeySKGYULICBCFMKF-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds1

About spiro[4.5]decane-8-carbaldehyde

spiro[4.5]decane-8-carbaldehyde (PubChem CID 58870319) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is spiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Namespiro[4.5]decane-8-carbaldehyde
PubChem CID58870319
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namespiro[4.5]decane-8-carbaldehyde
SMILESO=CC1CCC2(CCCC2)CC1
InChIInChI=1S/C11H18O/c12-9-10-3-7-11(8-4-10)5-1-2-6-11/h9-10H,1-8H2
InChIKeySKGYULICBCFMKF-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decane-8-carbaldehyde?
The IUPAC name of spiro[4.5]decane-8-carbaldehyde (CID 58870319) is spiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for spiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for spiro[4.5]decane-8-carbaldehyde is O=CC1CCC2(CCCC2)CC1.
What is the InChIKey of spiro[4.5]decane-8-carbaldehyde?
The InChIKey is SKGYULICBCFMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-9-10-3-7-11(8-4-10)5-1-2-6-11/h9-10H,1-8H2.
What are the key properties of spiro[4.5]decane-8-carbaldehyde?
spiro[4.5]decane-8-carbaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 58870319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).