2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal

C15H20O — CID 64663678

IUPAC2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
SMILESCC(C=O)CCC1CCCc2ccccc21
InChIInChI=1S/C15H20O/c1-12(11-16)9-10-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,11-12,14H,4,6-7,9-10H2,1H3
InChIKeyOJJLZHOBYOSIMQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal (PubChem CID 64663678) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
PubChem CID64663678
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
SMILESCC(C=O)CCC1CCCc2ccccc21
InChIInChI=1S/C15H20O/c1-12(11-16)9-10-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,11-12,14H,4,6-7,9-10H2,1H3
InChIKeyOJJLZHOBYOSIMQ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
CID 64508890
2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal
CID 57185914
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 57286151
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
CID 81194465
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal?
The IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal (CID 64663678) is 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal.
What is the SMILES notation for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal?
The canonical SMILES for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal is CC(C=O)CCC1CCCc2ccccc21.
What is the InChIKey of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal?
The InChIKey is OJJLZHOBYOSIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-12(11-16)9-10-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,11-12,14H,4,6-7,9-10H2,1H3.
What are the key properties of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal?
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal has a molecular weight of 216.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal is sourced from PubChem (CID 64663678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).