[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane

C17H33ClOSi — CID 23243437

IUPAC[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane
SMILESCC(C)[C@H]1C=C(O[Si](C)(C)C)C[C@@H]1CCCCCCCl
InChIInChI=1S/C17H33ClOSi/c1-14(2)17-13-16(19-20(3,4)5)12-15(17)10-8-6-7-9-11-18/h13-15,17H,6-12H2,1-5H3/t15-,17+/m0/s1
InChIKeySPSBNZKLJJVKHB-DOTOQJQBSA-N
MW316.99 g/mol
LogP6.20
Rot. Bonds9

About [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane

[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane (PubChem CID 23243437) has the molecular formula C17H33ClOSi and a molecular weight of 316.99 g/mol. Its IUPAC name is [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane
PubChem CID23243437
Molecular FormulaC17H33ClOSi
Molecular Weight316.99 g/mol
Exact Mass316.20
IUPAC Name[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane
SMILESCC(C)[C@H]1C=C(O[Si](C)(C)C)C[C@@H]1CCCCCCCl
InChIInChI=1S/C17H33ClOSi/c1-14(2)17-13-16(19-20(3,4)5)12-15(17)10-8-6-7-9-11-18/h13-15,17H,6-12H2,1-5H3/t15-,17+/m0/s1
InChIKeySPSBNZKLJJVKHB-DOTOQJQBSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.99
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
trimethyl-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]oxy]silane
CID 10943782
2-(25-chloropentacosyl)oxirane
CID 89371586
(2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxy-2-oxobutyl)-3-propan-2-ylcyclopentan-1-one
CID 11121095
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
CID 102257492
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
6-chlorohexoxy-tri(propan-2-yl)silane
CID 89400729
chloro-[4-[(1S,2R,3S)-3-(6-chlorohexyl)-5-oxo-2-propan-2-ylcyclopentyl]-3-oxobut-1-en-2-yl]mercury
CID 10768973
trimethyl-[(5S)-5-propan-2-ylcyclohepta-1,3-dien-1-yl]oxysilane
CID 11322076
chloro-(24-chlorotetracosyl)-dimethylsilane
CID 87683150
tert-butyl 2-(4-chlorobutyl)cyclopropane-1-carboxylate
CID 139889580

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane (CID 23243437) is [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane is CC(C)[C@H]1C=C(O[Si](C)(C)C)C[C@@H]1CCCCCCCl.
What is the InChIKey of [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane?
The InChIKey is SPSBNZKLJJVKHB-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H33ClOSi/c1-14(2)17-13-16(19-20(3,4)5)12-15(17)10-8-6-7-9-11-18/h13-15,17H,6-12H2,1-5H3/t15-,17+/m0/s1.
What are the key properties of [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane?
[(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane has a molecular weight of 316.99 g/mol, XLogP of 6.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(6-chlorohexyl)-3-propan-2-ylcyclopenten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 23243437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).