(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol

C15H28O3Si2 — CID 134934011

IUPAC(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
SMILESC[Si](C)(C)C#C[C@H](O)CC(O)C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28O3Si2/c1-19(2,3)9-7-13(16)11-15(18)12-14(17)8-10-20(4,5)6/h13-18H,11-12H2,1-6H3/t13-,14-/m0/s1
InChIKeyPMERNZRRMZQFHD-KBPBESRZSA-N
MW312.56 g/mol
LogP1.61
Rot. Bonds4

About (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol

(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol (PubChem CID 134934011) has the molecular formula C15H28O3Si2 and a molecular weight of 312.56 g/mol. Its IUPAC name is (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol.

Molecular Properties

Compound Name(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
PubChem CID134934011
Molecular FormulaC15H28O3Si2
Molecular Weight312.56 g/mol
Exact Mass312.16
IUPAC Name(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
SMILESC[Si](C)(C)C#C[C@H](O)CC(O)C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28O3Si2/c1-19(2,3)9-7-13(16)11-15(18)12-14(17)8-10-20(4,5)6/h13-18H,11-12H2,1-6H3/t13-,14-/m0/s1
InChIKeyPMERNZRRMZQFHD-KBPBESRZSA-N
XLogP1.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol with MolForge

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Related Compounds

(3S)-1-trimethylsilyloct-1-yn-3-ol
CID 12447768
7-Trimethylsilylhept-6-yne-1,5-diol
CID 23240932
(5S)-1-trimethylsilyldec-1-yn-5-ol
CID 135001882
(3S,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
CID 15142640
1-Trimethylsilylnon-2-yn-4-ol
CID 86087833
5-[Tert-butyl(dimethyl)silyl]oxyoct-6-yn-1-ol
CID 135017970
1-[Tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol
CID 139254007
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
CID 146161464
7-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
CID 23240930
1-Trimethylsilyldeca-1,3-diyn-5-ol
CID 10513261
1-Trimethylsilyloct-1-yn-4-ol
CID 10703134
1-Octyn-3-ol, 1-(trimethylsilyl)-
CID 10997991

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol?
The IUPAC name of (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol (CID 134934011) is (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol.
What is the SMILES notation for (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol?
The canonical SMILES for (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol is C[Si](C)(C)C#C[C@H](O)CC(O)C[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol?
The InChIKey is PMERNZRRMZQFHD-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28O3Si2/c1-19(2,3)9-7-13(16)11-15(18)12-14(17)8-10-20(4,5)6/h13-18H,11-12H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol?
(3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol has a molecular weight of 312.56 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol is sourced from PubChem (CID 134934011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).