(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one

C19H24O2 — CID 11403381

IUPAC(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one
SMILESCOc1cc(C)cc2c1C(=O)C[C@]1(C)CC=C(C(C)C)[C@H]21
InChIInChI=1S/C19H24O2/c1-11(2)13-6-7-19(4)10-15(20)17-14(18(13)19)8-12(3)9-16(17)21-5/h6,8-9,11,18H,7,10H2,1-5H3/t18-,19+/m1/s1
InChIKeyOLCLEVYTAZSXCU-MOPGFXCFSA-N
MW284.40 g/mol
LogP4.67
Rot. Bonds2

About (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one

(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one (PubChem CID 11403381) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one.

Molecular Properties

Compound Name(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one
PubChem CID11403381
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one
SMILESCOc1cc(C)cc2c1C(=O)C[C@]1(C)CC=C(C(C)C)[C@H]21
InChIInChI=1S/C19H24O2/c1-11(2)13-6-7-19(4)10-15(20)17-14(18(13)19)8-12(3)9-16(17)21-5/h6,8-9,11,18H,7,10H2,1-5H3/t18-,19+/m1/s1
InChIKeyOLCLEVYTAZSXCU-MOPGFXCFSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Enmd-1198
CID 11483754
1,4-Dimethoxyanthraquinone
CID 266054
4'-Isopropylflavone
CID 2802462
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
5-Methoxy-2-methylnaphthalene-1,4-dione
CID 185478
1-Methoxy-9,10-anthracenedione
CID 6707
5-Methoxytetralone
CID 36620
2-Methoxy-1-naphthaldehyde
CID 79352
Methyl 3-Methoxy-2-naphthoate
CID 296952
1-(2-Methoxy-4-methylphenyl)ethanone
CID 9167405
9,10-Anthracenedione, 1,5-dimethoxy-
CID 22952
5-Methoxy-7-methyl-naphthalene-1,4-dione
CID 11830482

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one?
The IUPAC name of (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one (CID 11403381) is (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one.
What is the SMILES notation for (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one?
The canonical SMILES for (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one is COc1cc(C)cc2c1C(=O)C[C@]1(C)CC=C(C(C)C)[C@H]21.
What is the InChIKey of (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one?
The InChIKey is OLCLEVYTAZSXCU-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H24O2/c1-11(2)13-6-7-19(4)10-15(20)17-14(18(13)19)8-12(3)9-16(17)21-5/h6,8-9,11,18H,7,10H2,1-5H3/t18-,19+/m1/s1.
What are the key properties of (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one?
(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one has a molecular weight of 284.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one is sourced from PubChem (CID 11403381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).