4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one

C13H20O — CID 14759141

IUPAC4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
SMILESCC1(C)CCCC2(C)CC=CC(=O)C12
InChIInChI=1S/C13H20O/c1-12(2)7-5-9-13(3)8-4-6-10(14)11(12)13/h4,6,11H,5,7-9H2,1-3H3
InChIKeyGOHLOLCOEYIKTD-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.35
Rot. Bonds

About 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one

4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (PubChem CID 14759141) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one.

Molecular Properties

Compound Name4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
PubChem CID14759141
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
SMILESCC1(C)CCCC2(C)CC=CC(=O)C12
InChIInChI=1S/C13H20O/c1-12(2)7-5-9-13(3)8-4-6-10(14)11(12)13/h4,6,11H,5,7-9H2,1-3H3
InChIKeyGOHLOLCOEYIKTD-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one?
The IUPAC name of 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (CID 14759141) is 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one.
What is the SMILES notation for 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one?
The canonical SMILES for 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one is CC1(C)CCCC2(C)CC=CC(=O)C12.
What is the InChIKey of 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one?
The InChIKey is GOHLOLCOEYIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-12(2)7-5-9-13(3)8-4-6-10(14)11(12)13/h4,6,11H,5,7-9H2,1-3H3.
What are the key properties of 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one?
4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one is sourced from PubChem (CID 14759141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).