(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol

C16H30O2Si — CID 10913007

IUPAC(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](O)C=C
InChIInChI=1S/C16H30O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h1,11,13-14,17H,2,12H2,3-9H3/t13-,14-/m1/s1
InChIKeySVMFVHCMFBVLMM-ZIAGYGMSSA-N
MW282.50 g/mol
LogP3.97
Rot. Bonds6

About (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol (PubChem CID 10913007) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
PubChem CID10913007
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](O)C=C
InChIInChI=1S/C16H30O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h1,11,13-14,17H,2,12H2,3-9H3/t13-,14-/m1/s1
InChIKeySVMFVHCMFBVLMM-ZIAGYGMSSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
CID 101012128
(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
CID 134949285
(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
CID 134978481
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 11069678
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol
CID 11143802
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
CID 23028912
1-[Tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol
CID 54467669
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-6-yn-3-ol
CID 57389168
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-ol
CID 60015085

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol?
The IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol (CID 10913007) is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol?
The canonical SMILES for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](O)C=C.
What is the InChIKey of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol?
The InChIKey is SVMFVHCMFBVLMM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h1,11,13-14,17H,2,12H2,3-9H3/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol?
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol has a molecular weight of 282.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 10913007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).