2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione

C19H22O3 — CID 11609092

IUPAC2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione
SMILESCOC1=C(C(C)C)C2=C(CC3C(=C2)C=CC(=O)C3(C)C)C1=O
InChIInChI=1S/C19H22O3/c1-10(2)16-12-8-11-6-7-15(20)19(3,4)14(11)9-13(12)17(21)18(16)22-5/h6-8,10,14H,9H2,1-5H3
InChIKeyOUUAVYINSHSCGO-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.53
Rot. Bonds2

About 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione

2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione (PubChem CID 11609092) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione.

Molecular Properties

Compound Name2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione
PubChem CID11609092
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione
SMILESCOC1=C(C(C)C)C2=C(CC3C(=C2)C=CC(=O)C3(C)C)C1=O
InChIInChI=1S/C19H22O3/c1-10(2)16-12-8-11-6-7-15(20)19(3,4)14(11)9-13(12)17(21)18(16)22-5/h6-8,10,14H,9H2,1-5H3
InChIKeyOUUAVYINSHSCGO-UHFFFAOYSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione?
The IUPAC name of 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione (CID 11609092) is 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione.
What is the SMILES notation for 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione?
The canonical SMILES for 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione is COC1=C(C(C)C)C2=C(CC3C(=C2)C=CC(=O)C3(C)C)C1=O.
What is the InChIKey of 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione?
The InChIKey is OUUAVYINSHSCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-10(2)16-12-8-11-6-7-15(20)19(3,4)14(11)9-13(12)17(21)18(16)22-5/h6-8,10,14H,9H2,1-5H3.
What are the key properties of 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione?
2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione has a molecular weight of 298.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,5-dimethyl-1-propan-2-yl-4,4a-dihydrocyclopenta[b]naphthalene-3,6-dione is sourced from PubChem (CID 11609092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).