(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline

C18H20OSi — CID 101016996

IUPAC(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
SMILESC[Si@@]1(c2ccccc2)CC[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C18H20OSi/c1-20(15-8-3-2-4-9-15)12-11-17-16-10-6-5-7-14(16)13-18(17)19-20/h2-10,17-18H,11-13H2,1H3/t17-,18+,20+/m1/s1
InChIKeyDQXUYTJSTYWICB-HBFSDRIKSA-N
MW280.44 g/mol
LogP3.60
Rot. Bonds1

About (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline

(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline (PubChem CID 101016996) has the molecular formula C18H20OSi and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline.

Molecular Properties

Compound Name(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
PubChem CID101016996
Molecular FormulaC18H20OSi
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Name(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
SMILESC[Si@@]1(c2ccccc2)CC[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C18H20OSi/c1-20(15-8-3-2-4-9-15)12-11-17-16-10-6-5-7-14(16)13-18(17)19-20/h2-10,17-18H,11-13H2,1H3/t17-,18+,20+/m1/s1
InChIKeyDQXUYTJSTYWICB-HBFSDRIKSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline with MolForge

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

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-2-phenyl-1,3,2-dioxasilinane
CID 14148970
3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
CID 118654545
(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
CID 101003573
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
(3aR,8bS)-2-methyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole
CID 10888391
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
2,3-ditert-butyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrole
CID 58963061
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317

Frequently Asked Questions

What is the IUPAC name of (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The IUPAC name of (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline (CID 101016996) is (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline.
What is the SMILES notation for (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The canonical SMILES for (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline is C[Si@@]1(c2ccccc2)CC[C@@H]2c3ccccc3C[C@@H]2O1.
What is the InChIKey of (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The InChIKey is DQXUYTJSTYWICB-HBFSDRIKSA-N. The full InChI is InChI=1S/C18H20OSi/c1-20(15-8-3-2-4-9-15)12-11-17-16-10-6-5-7-14(16)13-18(17)19-20/h2-10,17-18H,11-13H2,1H3/t17-,18+,20+/m1/s1.
What are the key properties of (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline has a molecular weight of 280.44 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline is sourced from PubChem (CID 101016996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).