1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde

C11H16O2 — CID 129215999

IUPAC1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde
SMILESCC1(C)C2CC(C=O)(C=O)C1(C)C2
InChIInChI=1S/C11H16O2/c1-9(2)8-4-10(9,3)11(5-8,6-12)7-13/h6-8H,4-5H2,1-3H3
InChIKeyLWIDZENJWIDSQX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds2

About 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde

1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde (PubChem CID 129215999) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde.

Molecular Properties

Compound Name1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde
PubChem CID129215999
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde
SMILESCC1(C)C2CC(C=O)(C=O)C1(C)C2
InChIInChI=1S/C11H16O2/c1-9(2)8-4-10(9,3)11(5-8,6-12)7-13/h6-8H,4-5H2,1-3H3
InChIKeyLWIDZENJWIDSQX-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde?
The IUPAC name of 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde (CID 129215999) is 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde.
What is the SMILES notation for 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde?
The canonical SMILES for 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde is CC1(C)C2CC(C=O)(C=O)C1(C)C2.
What is the InChIKey of 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde?
The InChIKey is LWIDZENJWIDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)8-4-10(9,3)11(5-8,6-12)7-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde?
1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethylbicyclo[2.1.1]hexane-2,2-dicarbaldehyde is sourced from PubChem (CID 129215999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).