(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole

C12H22OSi — CID 134836441

IUPAC(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole
SMILESC=CC[C@@]1(C)CC[C@@H]2O[Si](C)(C)C[C@@H]21
InChIInChI=1S/C12H22OSi/c1-5-7-12(2)8-6-11-10(12)9-14(3,4)13-11/h5,10-11H,1,6-9H2,2-4H3/t10-,11-,12-/m0/s1
InChIKeyLLVHPSITEKBXCE-SRVKXCTJSA-N
MW210.39 g/mol
LogP3.58
Rot. Bonds2

About (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole

(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole (PubChem CID 134836441) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole.

Molecular Properties

Compound Name(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole
PubChem CID134836441
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole
SMILESC=CC[C@@]1(C)CC[C@@H]2O[Si](C)(C)C[C@@H]21
InChIInChI=1S/C12H22OSi/c1-5-7-12(2)8-6-11-10(12)9-14(3,4)13-11/h5,10-11H,1,6-9H2,2-4H3/t10-,11-,12-/m0/s1
InChIKeyLLVHPSITEKBXCE-SRVKXCTJSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.58
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 (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 11031953
[(2R,3aS,6aR)-6a-methyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 11807166
tert-butyl-dimethyl-[(1S,3S,4R)-3-methyl-4-prop-2-enylcyclopentyl]oxysilane
CID 158417789
tert-butyl-dimethyl-[(1R,3R,4S)-3-methyl-4-prop-2-enylcyclopentyl]oxysilane
CID 158417790

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole?
The IUPAC name of (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole (CID 134836441) is (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole.
What is the SMILES notation for (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole?
The canonical SMILES for (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole is C=CC[C@@]1(C)CC[C@@H]2O[Si](C)(C)C[C@@H]21.
What is the InChIKey of (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole?
The InChIKey is LLVHPSITEKBXCE-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H22OSi/c1-5-7-12(2)8-6-11-10(12)9-14(3,4)13-11/h5,10-11H,1,6-9H2,2-4H3/t10-,11-,12-/m0/s1.
What are the key properties of (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole?
(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole has a molecular weight of 210.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole is sourced from PubChem (CID 134836441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).