2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde

C17H22O — CID 89332701

IUPAC2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde
SMILESCC1(C)CCC2CC(C)(C)c3cc(C=O)cc1c32
InChIInChI=1S/C17H22O/c1-16(2)6-5-12-9-17(3,4)14-8-11(10-18)7-13(16)15(12)14/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyGQELHYVUAQRFBE-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.34
Rot. Bonds1

About 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde

2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde (PubChem CID 89332701) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde
PubChem CID89332701
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde
SMILESCC1(C)CCC2CC(C)(C)c3cc(C=O)cc1c32
InChIInChI=1S/C17H22O/c1-16(2)6-5-12-9-17(3,4)14-8-11(10-18)7-13(16)15(12)14/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyGQELHYVUAQRFBE-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.34
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 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde?
The IUPAC name of 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde (CID 89332701) is 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde.
What is the SMILES notation for 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde?
The canonical SMILES for 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde is CC1(C)CCC2CC(C)(C)c3cc(C=O)cc1c32.
What is the InChIKey of 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde?
The InChIKey is GQELHYVUAQRFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-16(2)6-5-12-9-17(3,4)14-8-11(10-18)7-13(16)15(12)14/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde?
2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde has a molecular weight of 242.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1,7,8,8a-tetrahydroacenaphthylene-4-carbaldehyde is sourced from PubChem (CID 89332701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).