1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde

C13H14O — CID 115057517

IUPAC1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=C(C=O)CCc2c(C)cccc21
InChIInChI=1S/C13H14O/c1-9-4-3-5-13-10(2)11(8-14)6-7-12(9)13/h3-5,8H,6-7H2,1-2H3
InChIKeyBESFWWNUWIQPTE-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.91
Rot. Bonds1

About 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde

1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 115057517) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID115057517
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=C(C=O)CCc2c(C)cccc21
InChIInChI=1S/C13H14O/c1-9-4-3-5-13-10(2)11(8-14)6-7-12(9)13/h3-5,8H,6-7H2,1-2H3
InChIKeyBESFWWNUWIQPTE-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.91
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

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7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
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3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
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(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene
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2,6-dimethylbenzaldehyde
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1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
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CID 19802541

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde (CID 115057517) is 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde is CC1=C(C=O)CCc2c(C)cccc21.
What is the InChIKey of 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is BESFWWNUWIQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-4-3-5-13-10(2)11(8-14)6-7-12(9)13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde?
1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 115057517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).