(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol

C17H36O2Si — CID 134836990

IUPAC(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
SMILESC=CC[C@@H](C[C@@H](O)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-10-11-13-15(18)14-16(12-9-2)19-20(6,7)17(3,4)5/h9,15-16,18H,2,8,10-14H2,1,3-7H3/t15-,16-/m0/s1
InChIKeyJKHUKDYZEYJBIF-HOTGVXAUSA-N
MW300.56 g/mol
LogP5.28
Rot. Bonds10

About (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol

(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol (PubChem CID 134836990) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol.

Molecular Properties

Compound Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
PubChem CID134836990
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
SMILESC=CC[C@@H](C[C@@H](O)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-8-10-11-13-15(18)14-16(12-9-2)19-20(6,7)17(3,4)5/h9,15-16,18H,2,8,10-14H2,1,3-7H3/t15-,16-/m0/s1
InChIKeyJKHUKDYZEYJBIF-HOTGVXAUSA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.28
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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
Ctk2E3476
CID 11246239
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
CID 12964922
4-[Tert-butyl(dimethyl)silyl]oxynona-7,8-dien-2-ol
CID 13761845
6-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857471

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol?
The IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol (CID 134836990) is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol.
What is the SMILES notation for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol?
The canonical SMILES for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol is C=CC[C@@H](C[C@@H](O)CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol?
The InChIKey is JKHUKDYZEYJBIF-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-8-10-11-13-15(18)14-16(12-9-2)19-20(6,7)17(3,4)5/h9,15-16,18H,2,8,10-14H2,1,3-7H3/t15-,16-/m0/s1.
What are the key properties of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol?
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol has a molecular weight of 300.56 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol is sourced from PubChem (CID 134836990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).