tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane

C28H70O4Si2 — CID 159162582

IUPACtert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane
SMILESC.C.C.C=CCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCC[C@@H](O)CO.CCC
InChIInChI=1S/C11H26O3Si.C11H24OSi.C3H8.3CH4/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12;1-7-8-9-10-12-13(5,6)11(2,3)4;1-3-2;;;/h10,12-13H,6-9H2,1-5H3;7H,1,8-10H2,2-6H3;3H2,1-2H3;3*1H4/t10-;;;;;/m1...../s1
InChIKeyKKRHNIXGHWHKSK-CVDDZGRDSA-N
MW527.04 g/mol
LogP9.44
Rot. Bonds11

About tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane

tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane (PubChem CID 159162582) has the molecular formula C28H70O4Si2 and a molecular weight of 527.04 g/mol. Its IUPAC name is tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane.

Molecular Properties

Compound Nametert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane
PubChem CID159162582
Molecular FormulaC28H70O4Si2
Molecular Weight527.04 g/mol
Exact Mass526.48
IUPAC Nametert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane
SMILESC.C.C.C=CCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCC[C@@H](O)CO.CCC
InChIInChI=1S/C11H26O3Si.C11H24OSi.C3H8.3CH4/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12;1-7-8-9-10-12-13(5,6)11(2,3)4;1-3-2;;;/h10,12-13H,6-9H2,1-5H3;7H,1,8-10H2,2-6H3;3H2,1-2H3;3*1H4/t10-;;;;;/m1...../s1
InChIKeyKKRHNIXGHWHKSK-CVDDZGRDSA-N
XLogP9.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.04
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane?
The IUPAC name of tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane (CID 159162582) is tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane.
What is the SMILES notation for tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane?
The canonical SMILES for tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane is C.C.C.C=CCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCC[C@@H](O)CO.CCC.
What is the InChIKey of tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane?
The InChIKey is KKRHNIXGHWHKSK-CVDDZGRDSA-N. The full InChI is InChI=1S/C11H26O3Si.C11H24OSi.C3H8.3CH4/c1-11(2,3)15(4,5)14-8-6-7-10(13)9-12;1-7-8-9-10-12-13(5,6)11(2,3)4;1-3-2;;;/h10,12-13H,6-9H2,1-5H3;7H,1,8-10H2,2-6H3;3H2,1-2H3;3*1H4/t10-;;;;;/m1...../s1.
What are the key properties of tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane?
tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane has a molecular weight of 527.04 g/mol, XLogP of 9.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane is sourced from PubChem (CID 159162582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).