(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol

C24H34O2Si — CID 11003481

IUPAC(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
SMILESC=C(C)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-20(2)19-21(25)13-12-18-26-27(24(3,4)5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,25H,1,12-13,18-19H2,2-5H3/t21-/m0/s1
InChIKeySMGXBCOXCNLEEA-NRFANRHFSA-N
MW382.62 g/mol
LogP4.67
Rot. Bonds9

About (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol

(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol (PubChem CID 11003481) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
PubChem CID11003481
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Name(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
SMILESC=C(C)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-20(2)19-21(25)13-12-18-26-27(24(3,4)5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,25H,1,12-13,18-19H2,2-5H3/t21-/m0/s1
InChIKeySMGXBCOXCNLEEA-NRFANRHFSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.67
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-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane;(5S)-8-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3-methylideneoctan-2-one;ethene
CID 160977015
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol?
The IUPAC name of (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol (CID 11003481) is (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol.
What is the SMILES notation for (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol?
The canonical SMILES for (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol is C=C(C)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol?
The InChIKey is SMGXBCOXCNLEEA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-20(2)19-21(25)13-12-18-26-27(24(3,4)5,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,25H,1,12-13,18-19H2,2-5H3/t21-/m0/s1.
What are the key properties of (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol?
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol has a molecular weight of 382.62 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol is sourced from PubChem (CID 11003481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).