hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane

C17H36O2Si — CID 10590376

IUPAChydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
SMILESC=CC[C@H](CCCCC)O[C@H](CCCCC)[Si](C)(C)O
InChIInChI=1S/C17H36O2Si/c1-6-9-11-14-16(13-8-3)19-17(20(4,5)18)15-12-10-7-2/h8,16-18H,3,6-7,9-15H2,1-2,4-5H3/t16-,17+/m1/s1
InChIKeyIAOASHBKEPJBPH-SJORKVTESA-N
MW300.56 g/mol
LogP5.21
Rot. Bonds13

About hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane

hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane (PubChem CID 10590376) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
PubChem CID10590376
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namehydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
SMILESC=CC[C@H](CCCCC)O[C@H](CCCCC)[Si](C)(C)O
InChIInChI=1S/C17H36O2Si/c1-6-9-11-14-16(13-8-3)19-17(20(4,5)18)15-12-10-7-2/h8,16-18H,3,6-7,9-15H2,1-2,4-5H3/t16-,17+/m1/s1
InChIKeyIAOASHBKEPJBPH-SJORKVTESA-N
XLogP5.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

1-Fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
CID 175115935
bis[(1-Ethenylhexyl)oxy](dimethyl)silane
CID 91737719
Trimethyl(non-1-en-4-yloxy)silane
CID 14592864
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
triethyl-[(Z)-1-trimethylsilylnon-1-en-4-yl]oxysilane
CID 11953737
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
Dimethoxy-(7-methoxyheptyl)-oct-1-enylsilane
CID 91344794
12-Tridecen-2-yl trimethylsilyl ether
CID 100983019
tert-butyl-dimethyl-[(4R)-non-1-en-4-yl]oxysilane
CID 101808240
(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane
CID 134901222
(Z)-1-tri(propan-2-yl)silyloxynon-1-en-4-ol
CID 134906517
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxynon-8-en-4-yl]oxy-dimethylsilane
CID 135014391

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane?
The IUPAC name of hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane (CID 10590376) is hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane?
The canonical SMILES for hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane is C=CC[C@H](CCCCC)O[C@H](CCCCC)[Si](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane?
The InChIKey is IAOASHBKEPJBPH-SJORKVTESA-N. The full InChI is InChI=1S/C17H36O2Si/c1-6-9-11-14-16(13-8-3)19-17(20(4,5)18)15-12-10-7-2/h8,16-18H,3,6-7,9-15H2,1-2,4-5H3/t16-,17+/m1/s1.
What are the key properties of hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane?
hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane has a molecular weight of 300.56 g/mol, XLogP of 5.21, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane is sourced from PubChem (CID 10590376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).