1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde

C15H22O — CID 174828395

IUPAC1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde
SMILESCC1CC2=C(CC=CC2)C(C)(C=O)C1(C)C
InChIInChI=1S/C15H22O/c1-11-9-12-7-5-6-8-13(12)15(4,10-16)14(11,2)3/h5-6,10-11H,7-9H2,1-4H3
InChIKeyOAEDRXMYOVLPQD-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds1

About 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde

1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 174828395) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde
PubChem CID174828395
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde
SMILESCC1CC2=C(CC=CC2)C(C)(C=O)C1(C)C
InChIInChI=1S/C15H22O/c1-11-9-12-7-5-6-8-13(12)15(4,10-16)14(11,2)3/h5-6,10-11H,7-9H2,1-4H3
InChIKeyOAEDRXMYOVLPQD-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde (CID 174828395) is 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde is CC1CC2=C(CC=CC2)C(C)(C=O)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is OAEDRXMYOVLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-9-12-7-5-6-8-13(12)15(4,10-16)14(11,2)3/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde?
1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174828395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).