(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one

C15H20O — CID 70516230

IUPAC(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESC=C(C)[C@@H]1C=CC2=C(C)C(=O)CCC2(C)C1
InChIInChI=1S/C15H20O/c1-10(2)12-5-6-13-11(3)14(16)7-8-15(13,4)9-12/h5-6,12H,1,7-9H2,2-4H3/t12-,15?/m1/s1
InChIKeyYAXFFNKRHRDSHG-KEKZHRQWSA-N
MW216.32 g/mol
LogP3.82
Rot. Bonds1

About (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one

(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one (PubChem CID 70516230) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
PubChem CID70516230
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESC=C(C)[C@@H]1C=CC2=C(C)C(=O)CCC2(C)C1
InChIInChI=1S/C15H20O/c1-10(2)12-5-6-13-11(3)14(16)7-8-15(13,4)9-12/h5-6,12H,1,7-9H2,2-4H3/t12-,15?/m1/s1
InChIKeyYAXFFNKRHRDSHG-KEKZHRQWSA-N
XLogP3.82
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 ≤ 53.82
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 (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The IUPAC name of (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one (CID 70516230) is (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The canonical SMILES for (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one is C=C(C)[C@@H]1C=CC2=C(C)C(=O)CCC2(C)C1.
What is the InChIKey of (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The InChIKey is YAXFFNKRHRDSHG-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)12-5-6-13-11(3)14(16)7-8-15(13,4)9-12/h5-6,12H,1,7-9H2,2-4H3/t12-,15?/m1/s1.
What are the key properties of (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
(6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 70516230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).