3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde

C15H24O — CID 565584

IUPAC3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
SMILESCC1(C)CCCC2(C)C(C=O)C3CCC2C31
InChIInChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3
InChIKeyPBMHTGOFWRRJFS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds1

About 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde

3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde (PubChem CID 565584) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde.

Molecular Properties

Compound Name3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
PubChem CID565584
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
SMILESCC1(C)CCCC2(C)C(C=O)C3CCC2C31
InChIInChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3
InChIKeyPBMHTGOFWRRJFS-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.67
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 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde?
The IUPAC name of 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde (CID 565584) is 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde.
What is the SMILES notation for 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde?
The canonical SMILES for 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde is CC1(C)CCCC2(C)C(C=O)C3CCC2C31.
What is the InChIKey of 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde?
The InChIKey is PBMHTGOFWRRJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3.
What are the key properties of 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde?
3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde is sourced from PubChem (CID 565584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).