(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol

C21H44O2Si — CID 134831056

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCCCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-8-10-11-12-13-14-15-16-18-19(22)20(17-9-2)23-24(6,7)21(3,4)5/h9,19-20,22H,2,8,10-18H2,1,3-7H3/t19-,20+/m1/s1
InChIKeyNSUJSKYVAHANQB-UXHICEINSA-N
MW356.67 g/mol
LogP6.84
Rot. Bonds14

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol (PubChem CID 134831056) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
PubChem CID134831056
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCCCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-8-10-11-12-13-14-15-16-18-19(22)20(17-9-2)23-24(6,7)21(3,4)5/h9,19-20,22H,2,8,10-18H2,1,3-7H3/t19-,20+/m1/s1
InChIKeyNSUJSKYVAHANQB-UXHICEINSA-N
XLogP6.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
Ctk2E3476
CID 11246239
(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
CID 14107959
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(4S,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 45113734
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol
CID 46180429
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 46186047
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
CID 50915370

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol (CID 134831056) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCCCCCCCCC.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol?
The InChIKey is NSUJSKYVAHANQB-UXHICEINSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-8-10-11-12-13-14-15-16-18-19(22)20(17-9-2)23-24(6,7)21(3,4)5/h9,19-20,22H,2,8,10-18H2,1,3-7H3/t19-,20+/m1/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol has a molecular weight of 356.67 g/mol, XLogP of 6.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol is sourced from PubChem (CID 134831056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).