[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane

C20H40O2Si — CID 11336762

IUPAC[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1(C)C
InChIInChI=1S/C20H40O2Si/c1-14(2)13-19-20(9,10)18(11-12-21-19)22-23(15(3)4,16(5)6)17(7)8/h11-12,14-19H,13H2,1-10H3/t18-,19+/m0/s1
InChIKeyCMHXAEOEKOEBAW-RBUKOAKNSA-N
MW340.62 g/mol
LogP6.53
Rot. Bonds7

About [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane

[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11336762) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID11336762
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1(C)C
InChIInChI=1S/C20H40O2Si/c1-14(2)13-19-20(9,10)18(11-12-21-19)22-23(15(3)4,16(5)6)17(7)8/h11-12,14-19H,13H2,1-10H3/t18-,19+/m0/s1
InChIKeyCMHXAEOEKOEBAW-RBUKOAKNSA-N
XLogP6.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane (CID 11336762) is [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane is CC(C)C[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1(C)C.
What is the InChIKey of [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CMHXAEOEKOEBAW-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-14(2)13-19-20(9,10)18(11-12-21-19)22-23(15(3)4,16(5)6)17(7)8/h11-12,14-19H,13H2,1-10H3/t18-,19+/m0/s1.
What are the key properties of [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane?
[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 340.62 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11336762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).