(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane

C19H38OSi — CID 100957064

IUPAC(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane
SMILESCC(C)=C[C@@]1(C)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)12-19(11)16(15(3)4)13-21(20-19,17(5,6)7)18(8,9)10/h12,15-16H,13H2,1-11H3/t16-,19-/m1/s1
InChIKeyCQRJSPKDTDKEPB-VQIMIIECSA-N
MW310.60 g/mol
LogP6.56
Rot. Bonds2

About (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane

(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane (PubChem CID 100957064) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane
PubChem CID100957064
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane
SMILESCC(C)=C[C@@]1(C)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)12-19(11)16(15(3)4)13-21(20-19,17(5,6)7)18(8,9)10/h12,15-16H,13H2,1-11H3/t16-,19-/m1/s1
InChIKeyCQRJSPKDTDKEPB-VQIMIIECSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.56
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'}

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Related Compounds

(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
CID 11823011
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
CID 11033342
2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
CID 123668668
1-(2-methylprop-1-enyl)-4-propan-2-ylcyclohex-2-en-1-ol
CID 165498443
1-(2-methylprop-1-enyl)-1-(trifluoromethyl)cyclopropane
CID 162600106
2,2-dimethyl-4-propan-2-yloxolan-3-ol
CID 126985762
2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 71274532
5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 580362
(3S)-2-methyloxolane-2,3-diol
CID 134855830
trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 146559803

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane (CID 100957064) is (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane.
What is the SMILES notation for (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane is CC(C)=C[C@@]1(C)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane?
The InChIKey is CQRJSPKDTDKEPB-VQIMIIECSA-N. The full InChI is InChI=1S/C19H38OSi/c1-14(2)12-19(11)16(15(3)4)13-21(20-19,17(5,6)7)18(8,9)10/h12,15-16H,13H2,1-11H3/t16-,19-/m1/s1.
What are the key properties of (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane?
(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane has a molecular weight of 310.60 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane is sourced from PubChem (CID 100957064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).