[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane

C20H34OSi — CID 10980094

IUPAC[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@H]2CCCCC2=C2CCC[C@H]2C1
InChIInChI=1S/C20H34OSi/c1-20(2,3)22(4,5)21-17-13-15-9-6-7-11-18(15)19-12-8-10-16(19)14-17/h13,15-16H,6-12,14H2,1-5H3/t15-,16+/m1/s1
InChIKeyITCHQSYEWVHAAV-CVEARBPZSA-N
MW318.58 g/mol
LogP6.58
Rot. Bonds2

About [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10980094) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10980094
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@H]2CCCCC2=C2CCC[C@H]2C1
InChIInChI=1S/C20H34OSi/c1-20(2,3)22(4,5)21-17-13-15-9-6-7-11-18(15)19-12-8-10-16(19)14-17/h13,15-16H,6-12,14H2,1-5H3/t15-,16+/m1/s1
InChIKeyITCHQSYEWVHAAV-CVEARBPZSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane 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 [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane (CID 10980094) is [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C[C@H]2CCCCC2=C2CCC[C@H]2C1.
What is the InChIKey of [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ITCHQSYEWVHAAV-CVEARBPZSA-N. The full InChI is InChI=1S/C20H34OSi/c1-20(2,3)22(4,5)21-17-13-15-9-6-7-11-18(15)19-12-8-10-16(19)14-17/h13,15-16H,6-12,14H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-1,2,3,3a,4,6a,7,8,9,10-decahydrobenzo[e]azulen-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10980094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).