1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone

C16H26O — CID 22901868

IUPAC1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)C(C)C2=C(CCCC2)C(C)C1C
InChIInChI=1S/C16H26O/c1-10-11(2)16(5,13(4)17)12(3)15-9-7-6-8-14(10)15/h10-12H,6-9H2,1-5H3
InChIKeyBOCKOWXWEIACTH-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.37
Rot. Bonds1

About 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone

1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone (PubChem CID 22901868) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
PubChem CID22901868
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)C(C)C2=C(CCCC2)C(C)C1C
InChIInChI=1S/C16H26O/c1-10-11(2)16(5,13(4)17)12(3)15-9-7-6-8-14(10)15/h10-12H,6-9H2,1-5H3
InChIKeyBOCKOWXWEIACTH-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone (CID 22901868) is 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone is CC(=O)C1(C)C(C)C2=C(CCCC2)C(C)C1C.
What is the InChIKey of 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone?
The InChIKey is BOCKOWXWEIACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10-11(2)16(5,13(4)17)12(3)15-9-7-6-8-14(10)15/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone?
1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone has a molecular weight of 234.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone is sourced from PubChem (CID 22901868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).