(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one

C18H28O3 — CID 71479461

IUPAC(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one
SMILESCOCO[C@@H]1[C@@H]2C=CC(=O)C[C@@H]2[C@]2(C)C[C@H](C)C[C@H](C)[C@@H]12
InChIInChI=1S/C18H28O3/c1-11-7-12(2)16-17(21-10-20-4)14-6-5-13(19)8-15(14)18(16,3)9-11/h5-6,11-12,14-17H,7-10H2,1-4H3/t11-,12+,14-,15+,16+,17-,18+/m1/s1
InChIKeyLWSZUZWFDXVELS-GHMVBUAOSA-N
MW292.42 g/mol
LogP3.44
Rot. Bonds3

About (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one

(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one (PubChem CID 71479461) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one.

Molecular Properties

Compound Name(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one
PubChem CID71479461
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one
SMILESCOCO[C@@H]1[C@@H]2C=CC(=O)C[C@@H]2[C@]2(C)C[C@H](C)C[C@H](C)[C@@H]12
InChIInChI=1S/C18H28O3/c1-11-7-12(2)16-17(21-10-20-4)14-6-5-13(19)8-15(14)18(16,3)9-11/h5-6,11-12,14-17H,7-10H2,1-4H3/t11-,12+,14-,15+,16+,17-,18+/m1/s1
InChIKeyLWSZUZWFDXVELS-GHMVBUAOSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one 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 (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one?
The IUPAC name of (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one (CID 71479461) is (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one.
What is the SMILES notation for (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one?
The canonical SMILES for (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one is COCO[C@@H]1[C@@H]2C=CC(=O)C[C@@H]2[C@]2(C)C[C@H](C)C[C@H](C)[C@@H]12.
What is the InChIKey of (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one?
The InChIKey is LWSZUZWFDXVELS-GHMVBUAOSA-N. The full InChI is InChI=1S/C18H28O3/c1-11-7-12(2)16-17(21-10-20-4)14-6-5-13(19)8-15(14)18(16,3)9-11/h5-6,11-12,14-17H,7-10H2,1-4H3/t11-,12+,14-,15+,16+,17-,18+/m1/s1.
What are the key properties of (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one?
(4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one has a molecular weight of 292.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bS,6R,8S,8aR,9R,9aR)-9-(methoxymethoxy)-4b,6,8-trimethyl-4a,5,6,7,8,8a,9,9a-octahydro-4H-fluoren-3-one is sourced from PubChem (CID 71479461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).