(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol

C21H40O3Si — CID 11291611

IUPAC(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol
SMILESC#C/C(=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)CO
InChIInChI=1S/C21H40O3Si/c1-11-15(3)20(24-25(9,10)21(6,7)8)17(5)19(23)16(4)13-18(12-2)14-22/h2,13,15-17,19-20,22-23H,11,14H2,1,3-10H3/b18-13-/t15-,16+,17+,19+,20+/m0/s1
InChIKeyGTCFDYPRGYQRPC-PTWGJOGTSA-N
MW368.63 g/mol
LogP4.61
Rot. Bonds9

About (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol

(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol (PubChem CID 11291611) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol
PubChem CID11291611
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol
SMILESC#C/C(=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)CO
InChIInChI=1S/C21H40O3Si/c1-11-15(3)20(24-25(9,10)21(6,7)8)17(5)19(23)16(4)13-18(12-2)14-22/h2,13,15-17,19-20,22-23H,11,14H2,1,3-10H3/b18-13-/t15-,16+,17+,19+,20+/m0/s1
InChIKeyGTCFDYPRGYQRPC-PTWGJOGTSA-N
XLogP4.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol?
The IUPAC name of (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol (CID 11291611) is (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol.
What is the SMILES notation for (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol?
The canonical SMILES for (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol is C#C/C(=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)CO.
What is the InChIKey of (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol?
The InChIKey is GTCFDYPRGYQRPC-PTWGJOGTSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-11-15(3)20(24-25(9,10)21(6,7)8)17(5)19(23)16(4)13-18(12-2)14-22/h2,13,15-17,19-20,22-23H,11,14H2,1,3-10H3/b18-13-/t15-,16+,17+,19+,20+/m0/s1.
What are the key properties of (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol?
(Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol has a molecular weight of 368.63 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-4,6,8-trimethyldec-2-ene-1,5-diol is sourced from PubChem (CID 11291611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).