6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde

C15H18O2 — CID 142633936

IUPAC6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)C(C)(C)CCC2C=O
InChIInChI=1S/C15H18O2/c1-10(17)11-4-5-13-12(9-16)6-7-15(2,3)14(13)8-11/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyHIFAXGTYRYMKBT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds2

About 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde

6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde (PubChem CID 142633936) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
PubChem CID142633936
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)C(C)(C)CCC2C=O
InChIInChI=1S/C15H18O2/c1-10(17)11-4-5-13-12(9-16)6-7-15(2,3)14(13)8-11/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyHIFAXGTYRYMKBT-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The IUPAC name of 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde (CID 142633936) is 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The canonical SMILES for 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde is CC(=O)c1ccc2c(c1)C(C)(C)CCC2C=O.
What is the InChIKey of 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The InChIKey is HIFAXGTYRYMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(17)11-4-5-13-12(9-16)6-7-15(2,3)14(13)8-11/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 142633936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).