1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one

C14H20O — CID 23102998

IUPAC1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one
SMILESCC1=CC(C)C2(C)C=CC(=O)C(C)C2C1
InChIInChI=1S/C14H20O/c1-9-7-10(2)14(4)6-5-13(15)11(3)12(14)8-9/h5-7,10-12H,8H2,1-4H3
InChIKeyKOESYIVTZQOAIH-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.37
Rot. Bonds

About 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one

1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one (PubChem CID 23102998) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one
PubChem CID23102998
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one
SMILESCC1=CC(C)C2(C)C=CC(=O)C(C)C2C1
InChIInChI=1S/C14H20O/c1-9-7-10(2)14(4)6-5-13(15)11(3)12(14)8-9/h5-7,10-12H,8H2,1-4H3
InChIKeyKOESYIVTZQOAIH-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.37
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 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one?
The IUPAC name of 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one (CID 23102998) is 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one.
What is the SMILES notation for 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one?
The canonical SMILES for 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one is CC1=CC(C)C2(C)C=CC(=O)C(C)C2C1.
What is the InChIKey of 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one?
The InChIKey is KOESYIVTZQOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-7-10(2)14(4)6-5-13(15)11(3)12(14)8-9/h5-7,10-12H,8H2,1-4H3.
What are the key properties of 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one?
1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one is sourced from PubChem (CID 23102998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).