5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde

C20H30O — CID 23002510

IUPAC5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCCCCCc1cc2c(cc1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H30O/c1-6-7-8-9-15-12-17-18(13-16(15)14-21)20(4,5)11-10-19(17,2)3/h12-14H,6-11H2,1-5H3
InChIKeyYMXSGXFMGRUESZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.58
Rot. Bonds5

About 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde

5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde (PubChem CID 23002510) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
PubChem CID23002510
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCCCCCc1cc2c(cc1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H30O/c1-6-7-8-9-15-12-17-18(13-16(15)14-21)20(4,5)11-10-19(17,2)3/h12-14H,6-11H2,1-5H3
InChIKeyYMXSGXFMGRUESZ-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde (CID 23002510) is 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde is CCCCCc1cc2c(cc1C=O)C(C)(C)CCC2(C)C.
What is the InChIKey of 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde?
The InChIKey is YMXSGXFMGRUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-6-7-8-9-15-12-17-18(13-16(15)14-21)20(4,5)11-10-19(17,2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde?
5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde has a molecular weight of 286.46 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 23002510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).