(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol

C16H30O2Si — CID 11448942

IUPAC(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol
SMILESC=CC[C@H](O)[C@H](CCC#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-10-11-13-15(14(17)12-9-2)18-19(6,7)16(3,4)5/h9,14-15,17H,2,11-13H2,1,3-7H3/t14-,15-/m0/s1
InChIKeyRFVMTQPDDLDDQN-GJZGRUSLSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds7

About (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol (PubChem CID 11448942) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol
PubChem CID11448942
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol
SMILESC=CC[C@H](O)[C@H](CCC#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-10-11-13-15(14(17)12-9-2)18-19(6,7)16(3,4)5/h9,14-15,17H,2,11-13H2,1,3-7H3/t14-,15-/m0/s1
InChIKeyRFVMTQPDDLDDQN-GJZGRUSLSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
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

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
Ctk2E3476
CID 11246239
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
CID 135036750
6-[Tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
CID 139252747
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol
CID 177476259
1-{[tert-Butyl(dimethyl)silyl]oxy}hex-5-en-2-ol
CID 71358354
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-5-ol
CID 141758143
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoctadec-1-en-5-ol
CID 9978221
(E,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxytridec-2-en-6-yn-5-ol
CID 10041961
6-[Tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol
CID 10313573
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol
CID 10335821
(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
CID 10385752

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol?
The IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol (CID 11448942) is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol.
What is the SMILES notation for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol?
The canonical SMILES for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol is C=CC[C@H](O)[C@H](CCC#CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol?
The InChIKey is RFVMTQPDDLDDQN-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-10-11-13-15(14(17)12-9-2)18-19(6,7)16(3,4)5/h9,14-15,17H,2,11-13H2,1,3-7H3/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol?
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol is sourced from PubChem (CID 11448942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).