[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane

C17H40O2Si3 — CID 102422602

IUPAC[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
SMILESCCCCCC[C@H]1[C@@H](C)[C@@H]1[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H40O2Si3/c1-10-11-12-13-14-16-15(2)17(16)22(9,18-20(3,4)5)19-21(6,7)8/h15-17H,10-14H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyPEJXRZKRBJTPRW-IKGGRYGDSA-N
MW360.76 g/mol
LogP6.37
Rot. Bonds10

About [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane

[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane (PubChem CID 102422602) has the molecular formula C17H40O2Si3 and a molecular weight of 360.76 g/mol. Its IUPAC name is [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Name[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
PubChem CID102422602
Molecular FormulaC17H40O2Si3
Molecular Weight360.76 g/mol
Exact Mass360.23
IUPAC Name[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
SMILESCCCCCC[C@H]1[C@@H](C)[C@@H]1[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H40O2Si3/c1-10-11-12-13-14-16-15(2)17(16)22(9,18-20(3,4)5)19-21(6,7)8/h15-17H,10-14H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyPEJXRZKRBJTPRW-IKGGRYGDSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.76
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
3,4,6-trimethyl-5-pentyloxan-2-ol
CID 59637157
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
2-nonylcyclopentane-1,3-diol
CID 163304158
decane;ruthenium
CID 160818595
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
2-hexadecyloxirane;2-hexyloxirane
CID 161227178

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane?
The IUPAC name of [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane (CID 102422602) is [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane.
What is the SMILES notation for [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane?
The canonical SMILES for [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane is CCCCCC[C@H]1[C@@H](C)[C@@H]1[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane?
The InChIKey is PEJXRZKRBJTPRW-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H40O2Si3/c1-10-11-12-13-14-16-15(2)17(16)22(9,18-20(3,4)5)19-21(6,7)8/h15-17H,10-14H2,1-9H3/t15-,16+,17+/m1/s1.
What are the key properties of [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane?
[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 360.76 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 102422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).