(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol

C18H32OSi2 — CID 10639459

IUPAC(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol
SMILESC#C/C(C)=C\[C@H](O)[C@@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi2/c1-11-15(2)14-16(19)17(12-13-20(6,7)8)21(9,10)18(3,4)5/h1,14,16-17,19H,2-10H3/b15-14-/t16-,17+/m0/s1
InChIKeyBOVNNOBNIRDIBA-RMJCYXJZSA-N
MW320.63 g/mol
LogP4.69
Rot. Bonds3

About (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol

(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol (PubChem CID 10639459) has the molecular formula C18H32OSi2 and a molecular weight of 320.63 g/mol. Its IUPAC name is (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol.

Molecular Properties

Compound Name(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol
PubChem CID10639459
Molecular FormulaC18H32OSi2
Molecular Weight320.63 g/mol
Exact Mass320.20
IUPAC Name(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol
SMILESC#C/C(C)=C\[C@H](O)[C@@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi2/c1-11-15(2)14-16(19)17(12-13-20(6,7)8)21(9,10)18(3,4)5/h1,14,16-17,19H,2-10H3/b15-14-/t16-,17+/m0/s1
InChIKeyBOVNNOBNIRDIBA-RMJCYXJZSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol?
The IUPAC name of (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol (CID 10639459) is (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol.
What is the SMILES notation for (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol?
The canonical SMILES for (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol is C#C/C(C)=C\[C@H](O)[C@@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol?
The InChIKey is BOVNNOBNIRDIBA-RMJCYXJZSA-N. The full InChI is InChI=1S/C18H32OSi2/c1-11-15(2)14-16(19)17(12-13-20(6,7)8)21(9,10)18(3,4)5/h1,14,16-17,19H,2-10H3/b15-14-/t16-,17+/m0/s1.
What are the key properties of (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol?
(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol has a molecular weight of 320.63 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol is sourced from PubChem (CID 10639459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).