(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol

C17H32O3Si — CID 11324431

IUPAC(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol
SMILESC=C[C@H](O)[C@H](O)C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-8-16(19)17(20)11-15(18)9-10-21(12(2)3,13(4)5)14(6)7/h8,12-20H,1,11H2,2-7H3/t15-,16+,17-/m1/s1
InChIKeyALNWENCQOIASDH-IXDOHACOSA-N
MW312.53 g/mol
LogP2.87
Rot. Bonds7

About (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol

(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol (PubChem CID 11324431) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol.

Molecular Properties

Compound Name(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol
PubChem CID11324431
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol
SMILESC=C[C@H](O)[C@H](O)C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-8-16(19)17(20)11-15(18)9-10-21(12(2)3,13(4)5)14(6)7/h8,12-20H,1,11H2,2-7H3/t15-,16+,17-/m1/s1
InChIKeyALNWENCQOIASDH-IXDOHACOSA-N
XLogP2.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
(3S,4S)-7-trimethylsilylhept-1-en-6-yne-3,4-diol
CID 10559891
(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
CID 11052978
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-1-trimethylsilyloct-7-en-1-yn-4-ol
CID 12019919
1-[Tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol
CID 54467669
(3R,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
CID 139649646
(3R,5R)-5-((tert-Butyldimethylsilyl)oxy)-8-(trimethylsilyl)oct-1-en-7-yn-3-ol
CID 11151554
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11186449
(3R,4S,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]oct-1-en-7-yne-3,5-diol
CID 11301488
(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]oct-1-en-7-yne-3,5-diol
CID 11325348
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11336368
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yn-4-ol
CID 11448942

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol?
The IUPAC name of (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol (CID 11324431) is (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol.
What is the SMILES notation for (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol?
The canonical SMILES for (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol is C=C[C@H](O)[C@H](O)C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol?
The InChIKey is ALNWENCQOIASDH-IXDOHACOSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-16(19)17(20)11-15(18)9-10-21(12(2)3,13(4)5)14(6)7/h8,12-20H,1,11H2,2-7H3/t15-,16+,17-/m1/s1.
What are the key properties of (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol?
(3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol has a molecular weight of 312.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-8-tri(propan-2-yl)silyloct-1-en-7-yne-3,4,6-triol is sourced from PubChem (CID 11324431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).