[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate

C18H35ClO3Si — CID 135020152

IUPAC[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate
SMILESC=CC[C@@H](C)[C@H](C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)Cl
InChIInChI=1S/C18H35ClO3Si/c1-10-11-13(2)16(21-17(19)20)12-14(3)15(4)22-23(8,9)18(5,6)7/h10,13-16H,1,11-12H2,2-9H3/t13-,14-,15+,16+/m1/s1
InChIKeyDRJXVOCVKCOKRL-WCVJEAGWSA-N
MW363.01 g/mol
LogP6.38
Rot. Bonds9

About [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate

[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate (PubChem CID 135020152) has the molecular formula C18H35ClO3Si and a molecular weight of 363.01 g/mol. Its IUPAC name is [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate.

Molecular Properties

Compound Name[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate
PubChem CID135020152
Molecular FormulaC18H35ClO3Si
Molecular Weight363.01 g/mol
Exact Mass362.20
IUPAC Name[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate
SMILESC=CC[C@@H](C)[C@H](C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)Cl
InChIInChI=1S/C18H35ClO3Si/c1-10-11-13(2)16(21-17(19)20)12-14(3)15(4)22-23(8,9)18(5,6)7/h10,13-16H,1,11-12H2,2-9H3/t13-,14-,15+,16+/m1/s1
InChIKeyDRJXVOCVKCOKRL-WCVJEAGWSA-N
XLogP6.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate
CID 11427855
[(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hexadec-1-en-5-yl] acetate
CID 17747696
[(4S,5R,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate
CID 101516052

Frequently Asked Questions

What is the IUPAC name of [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate?
The IUPAC name of [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate (CID 135020152) is [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate.
What is the SMILES notation for [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate?
The canonical SMILES for [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate is C=CC[C@@H](C)[C@H](C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)Cl.
What is the InChIKey of [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate?
The InChIKey is DRJXVOCVKCOKRL-WCVJEAGWSA-N. The full InChI is InChI=1S/C18H35ClO3Si/c1-10-11-13(2)16(21-17(19)20)12-14(3)15(4)22-23(8,9)18(5,6)7/h10,13-16H,1,11-12H2,2-9H3/t13-,14-,15+,16+/m1/s1.
What are the key properties of [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate?
[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate has a molecular weight of 363.01 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate is sourced from PubChem (CID 135020152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).