4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

C15H20O — CID 11492228

IUPAC4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESC=C(C)C1C=CC2=CC(=O)CC(C)C2C1C
InChIInChI=1S/C15H20O/c1-9(2)14-6-5-12-8-13(16)7-10(3)15(12)11(14)4/h5-6,8,10-11,14-15H,1,7H2,2-4H3
InChIKeyPUFOYVNYAWINPN-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.54
Rot. Bonds1

About 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (PubChem CID 11492228) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
PubChem CID11492228
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESC=C(C)C1C=CC2=CC(=O)CC(C)C2C1C
InChIInChI=1S/C15H20O/c1-9(2)14-6-5-12-8-13(16)7-10(3)15(12)11(14)4/h5-6,8,10-11,14-15H,1,7H2,2-4H3
InChIKeyPUFOYVNYAWINPN-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.54
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 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The IUPAC name of 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (CID 11492228) is 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.
What is the SMILES notation for 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The canonical SMILES for 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is C=C(C)C1C=CC2=CC(=O)CC(C)C2C1C.
What is the InChIKey of 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The InChIKey is PUFOYVNYAWINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9(2)14-6-5-12-8-13(16)7-10(3)15(12)11(14)4/h5-6,8,10-11,14-15H,1,7H2,2-4H3.
What are the key properties of 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is sourced from PubChem (CID 11492228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).