(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol

C23H36O5 — CID 132934366

IUPAC(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol
SMILESC=CC(=C)CC[C@@]1(C)C2C[C@H](O)C=C3[C@@H](OC)O[C@@H](OC)C32[C@@H](OC)C[C@H]1C
InChIInChI=1S/C23H36O5/c1-8-14(2)9-10-22(4)15(3)11-19(25-5)23-17(12-16(24)13-18(22)23)20(26-6)28-21(23)27-7/h8,12,15-16,18-21,24H,1-2,9-11,13H2,3-7H3/t15-,16-,18?,19+,20+,21-,22-,23?/m1/s1
InChIKeyKUSFVCHTPOSQLS-WOFBDBOYSA-N
MW392.54 g/mol
LogP3.84
Rot. Bonds7

About (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol

(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol (PubChem CID 132934366) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol.

Molecular Properties

Compound Name(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol
PubChem CID132934366
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol
SMILESC=CC(=C)CC[C@@]1(C)C2C[C@H](O)C=C3[C@@H](OC)O[C@@H](OC)C32[C@@H](OC)C[C@H]1C
InChIInChI=1S/C23H36O5/c1-8-14(2)9-10-22(4)15(3)11-19(25-5)23-17(12-16(24)13-18(22)23)20(26-6)28-21(23)27-7/h8,12,15-16,18-21,24H,1-2,9-11,13H2,3-7H3/t15-,16-,18?,19+,20+,21-,22-,23?/m1/s1
InChIKeyKUSFVCHTPOSQLS-WOFBDBOYSA-N
XLogP3.84
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol 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 (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol?
The IUPAC name of (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol (CID 132934366) is (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol.
What is the SMILES notation for (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol?
The canonical SMILES for (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol is C=CC(=C)CC[C@@]1(C)C2C[C@H](O)C=C3[C@@H](OC)O[C@@H](OC)C32[C@@H](OC)C[C@H]1C.
What is the InChIKey of (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol?
The InChIKey is KUSFVCHTPOSQLS-WOFBDBOYSA-N. The full InChI is InChI=1S/C23H36O5/c1-8-14(2)9-10-22(4)15(3)11-19(25-5)23-17(12-16(24)13-18(22)23)20(26-6)28-21(23)27-7/h8,12,15-16,18-21,24H,1-2,9-11,13H2,3-7H3/t15-,16-,18?,19+,20+,21-,22-,23?/m1/s1.
What are the key properties of (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol?
(1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol has a molecular weight of 392.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,6aS,7R,8R,10S)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol is sourced from PubChem (CID 132934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).