[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane

C35H74O4Si2 — CID 14609966

IUPAC[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C35H74O4Si2/c1-25(2)19-17-20-32(15)21-18-22-35(16)38-33(23-36-40(26(3)4,27(5)6)28(7)8)34(39-35)24-37-41(29(9)10,30(11)12)31(13)14/h25-34H,17-24H2,1-16H3/t32?,33-,34-/m0/s1
InChIKeyVIUDEPLNJFNSSQ-FHODTQPZSA-N
MW615.15 g/mol
LogP11.50
Rot. Bonds20

About [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane

[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 14609966) has the molecular formula C35H74O4Si2 and a molecular weight of 615.15 g/mol. Its IUPAC name is [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID14609966
Molecular FormulaC35H74O4Si2
Molecular Weight615.15 g/mol
Exact Mass614.51
IUPAC Name[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C35H74O4Si2/c1-25(2)19-17-20-32(15)21-18-22-35(16)38-33(23-36-40(26(3)4,27(5)6)28(7)8)34(39-35)24-37-41(29(9)10,30(11)12)31(13)14/h25-34H,17-24H2,1-16H3/t32?,33-,34-/m0/s1
InChIKeyVIUDEPLNJFNSSQ-FHODTQPZSA-N
XLogP11.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.15
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 52920732
tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
CID 134954932
[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 135014563
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
CID 135016310
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 135020649
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane
CID 154718744
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 14609964
tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane
CID 58962248
(2S)-2-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-4-[hydroxy(dimethyl)silyl]-4-methylpentan-1-ol
CID 68320205

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane (CID 14609966) is [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane is CC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is VIUDEPLNJFNSSQ-FHODTQPZSA-N. The full InChI is InChI=1S/C35H74O4Si2/c1-25(2)19-17-20-32(15)21-18-22-35(16)38-33(23-36-40(26(3)4,27(5)6)28(7)8)34(39-35)24-37-41(29(9)10,30(11)12)31(13)14/h25-34H,17-24H2,1-16H3/t32?,33-,34-/m0/s1.
What are the key properties of [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane?
[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 615.15 g/mol, XLogP of 11.50, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 14609966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).