(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol

C29H60O3Si2 — CID 134848525

IUPAC(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol
SMILESCCCC[C@@H](C)/C=C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O3Si2/c1-15-16-18-23(2)19-17-20-24(3)27(32-34(13,14)29(8,9)10)25(4)26(21-30)22-31-33(11,12)28(5,6)7/h17,19-20,23,25-27,30H,15-16,18,21-22H2,1-14H3/b19-17+,24-20+/t23-,25+,26-,27-/m1/s1
InChIKeyHWYXMFYZTQUFHY-OOAIOGPESA-N
MW512.97 g/mol
LogP8.97
Rot. Bonds14

About (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol

(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol (PubChem CID 134848525) has the molecular formula C29H60O3Si2 and a molecular weight of 512.97 g/mol. Its IUPAC name is (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol.

Molecular Properties

Compound Name(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol
PubChem CID134848525
Molecular FormulaC29H60O3Si2
Molecular Weight512.97 g/mol
Exact Mass512.41
IUPAC Name(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol
SMILESCCCC[C@@H](C)/C=C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O3Si2/c1-15-16-18-23(2)19-17-20-24(3)27(32-34(13,14)29(8,9)10)25(4)26(21-30)22-31-33(11,12)28(5,6)7/h17,19-20,23,25-27,30H,15-16,18,21-22H2,1-14H3/b19-17+,24-20+/t23-,25+,26-,27-/m1/s1
InChIKeyHWYXMFYZTQUFHY-OOAIOGPESA-N
XLogP8.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.97
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol?
The IUPAC name of (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol (CID 134848525) is (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol.
What is the SMILES notation for (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol?
The canonical SMILES for (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol is CCCC[C@@H](C)/C=C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol?
The InChIKey is HWYXMFYZTQUFHY-OOAIOGPESA-N. The full InChI is InChI=1S/C29H60O3Si2/c1-15-16-18-23(2)19-17-20-24(3)27(32-34(13,14)29(8,9)10)25(4)26(21-30)22-31-33(11,12)28(5,6)7/h17,19-20,23,25-27,30H,15-16,18,21-22H2,1-14H3/b19-17+,24-20+/t23-,25+,26-,27-/m1/s1.
What are the key properties of (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol?
(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol has a molecular weight of 512.97 g/mol, XLogP of 8.97, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol is sourced from PubChem (CID 134848525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).