3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal

C15H20O — CID 82040234

IUPAC3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
SMILESCC(C)C(C=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-11,15H,3-6H2,1-2H3
InChIKeyIJXHCVFNYNDNCC-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal (PubChem CID 82040234) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal.

Molecular Properties

Compound Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
PubChem CID82040234
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
SMILESCC(C)C(C=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-11,15H,3-6H2,1-2H3
InChIKeyIJXHCVFNYNDNCC-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.50
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

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
CID 83931757
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal?
The IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal (CID 82040234) is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal.
What is the SMILES notation for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal?
The canonical SMILES for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal is CC(C)C(C=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal?
The InChIKey is IJXHCVFNYNDNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-11,15H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal?
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal has a molecular weight of 216.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal is sourced from PubChem (CID 82040234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).