(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol

C35H74O3Si2 — CID 11296341

IUPAC(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H74O3Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-32(37-39(9,10)34(3,4)5)28-29-33(30-31(36)26-14-2)38-40(11,12)35(6,7)8/h14,31-33,36H,2,13,15-30H2,1,3-12H3/t31-,32+,33+/m1/s1
InChIKeyOGVWCRLMPWKKBG-CEUYOYMZSA-N
MW599.15 g/mol
LogP11.97
Rot. Bonds24

About (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol

(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol (PubChem CID 11296341) has the molecular formula C35H74O3Si2 and a molecular weight of 599.15 g/mol. Its IUPAC name is (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol.

Molecular Properties

Compound Name(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol
PubChem CID11296341
Molecular FormulaC35H74O3Si2
Molecular Weight599.15 g/mol
Exact Mass598.52
IUPAC Name(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H74O3Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-32(37-39(9,10)34(3,4)5)28-29-33(30-31(36)26-14-2)38-40(11,12)35(6,7)8/h14,31-33,36H,2,13,15-30H2,1,3-12H3/t31-,32+,33+/m1/s1
InChIKeyOGVWCRLMPWKKBG-CEUYOYMZSA-N
XLogP11.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.15
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol?
The IUPAC name of (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol (CID 11296341) is (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol.
What is the SMILES notation for (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol?
The canonical SMILES for (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol is C=CC[C@@H](O)C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol?
The InChIKey is OGVWCRLMPWKKBG-CEUYOYMZSA-N. The full InChI is InChI=1S/C35H74O3Si2/c1-13-15-16-17-18-19-20-21-22-23-24-25-27-32(37-39(9,10)34(3,4)5)28-29-33(30-31(36)26-14-2)38-40(11,12)35(6,7)8/h14,31-33,36H,2,13,15-30H2,1,3-12H3/t31-,32+,33+/m1/s1.
What are the key properties of (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol?
(4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol has a molecular weight of 599.15 g/mol, XLogP of 11.97, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,9S)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]tricos-1-en-4-ol is sourced from PubChem (CID 11296341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).