5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one

C14H18O — CID 20696514

IUPAC5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1c(C)c(C)c2c(c1C)CCC(=O)C2
InChIInChI=1S/C14H18O/c1-8-9(2)11(4)14-7-12(15)5-6-13(14)10(8)3/h5-7H2,1-4H3
InChIKeyGVZCNHHNOPYUEM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.98
Rot. Bonds

About 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one

5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 20696514) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID20696514
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1c(C)c(C)c2c(c1C)CCC(=O)C2
InChIInChI=1S/C14H18O/c1-8-9(2)11(4)14-7-12(15)5-6-13(14)10(8)3/h5-7H2,1-4H3
InChIKeyGVZCNHHNOPYUEM-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one (CID 20696514) is 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one is Cc1c(C)c(C)c2c(c1C)CCC(=O)C2.
What is the InChIKey of 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is GVZCNHHNOPYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-8-9(2)11(4)14-7-12(15)5-6-13(14)10(8)3/h5-7H2,1-4H3.
What are the key properties of 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one?
5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 202.30 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetramethyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 20696514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).