5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde

C16H22O — CID 615367

IUPAC5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde
SMILESCC1(C)CC(C=O)=CC23C4CC(CC412)C3(C)C
InChIInChI=1S/C16H22O/c1-13(2)6-10(9-17)7-16-12-5-11(14(16,3)4)8-15(12,13)16/h7,9,11-12H,5-6,8H2,1-4H3
InChIKeyHXODQHBECCCMFP-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.59
Rot. Bonds1

About 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde

5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde (PubChem CID 615367) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde.

Molecular Properties

Compound Name5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde
PubChem CID615367
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde
SMILESCC1(C)CC(C=O)=CC23C4CC(CC412)C3(C)C
InChIInChI=1S/C16H22O/c1-13(2)6-10(9-17)7-16-12-5-11(14(16,3)4)8-15(12,13)16/h7,9,11-12H,5-6,8H2,1-4H3
InChIKeyHXODQHBECCCMFP-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.59
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 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde?
The IUPAC name of 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde (CID 615367) is 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde.
What is the SMILES notation for 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde?
The canonical SMILES for 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde is CC1(C)CC(C=O)=CC23C4CC(CC412)C3(C)C.
What is the InChIKey of 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde?
The InChIKey is HXODQHBECCCMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13(2)6-10(9-17)7-16-12-5-11(14(16,3)4)8-15(12,13)16/h7,9,11-12H,5-6,8H2,1-4H3.
What are the key properties of 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde?
5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde has a molecular weight of 230.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene-3-carbaldehyde is sourced from PubChem (CID 615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).