2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal

C15H20O — CID 142138771

IUPAC2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
SMILESCc1ccc2c(c1CC(C)C=O)CCCC2
InChIInChI=1S/C15H20O/c1-11(10-16)9-15-12(2)7-8-13-5-3-4-6-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyCGXAVOPEWZCSSY-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal

2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal (PubChem CID 142138771) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
PubChem CID142138771
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
SMILESCc1ccc2c(c1CC(C)C=O)CCCC2
InChIInChI=1S/C15H20O/c1-11(10-16)9-15-12(2)7-8-13-5-3-4-6-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyCGXAVOPEWZCSSY-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The IUPAC name of 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal (CID 142138771) is 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal.
What is the SMILES notation for 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The canonical SMILES for 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal is Cc1ccc2c(c1CC(C)C=O)CCCC2.
What is the InChIKey of 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The InChIKey is CGXAVOPEWZCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(10-16)9-15-12(2)7-8-13-5-3-4-6-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal has a molecular weight of 216.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanal is sourced from PubChem (CID 142138771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).