(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol

C17H34O3Si — CID 123540959

IUPAC(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
SMILESCC=C[C@H](O)CC(C)=CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-9-15(18)12-14(2)10-11-16(19)13-20-21(6,7)17(3,4)5/h8-10,15-16,18-19H,11-13H2,1-7H3/t15-,16-/m0/s1
InChIKeySPTMSYNYWUWYRQ-HOTGVXAUSA-N
MW314.54 g/mol
LogP4.03
Rot. Bonds8

About (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol

(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol (PubChem CID 123540959) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol.

Molecular Properties

Compound Name(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
PubChem CID123540959
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
SMILESCC=C[C@H](O)CC(C)=CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-9-15(18)12-14(2)10-11-16(19)13-20-21(6,7)17(3,4)5/h8-10,15-16,18-19H,11-13H2,1-7H3/t15-,16-/m0/s1
InChIKeySPTMSYNYWUWYRQ-HOTGVXAUSA-N
XLogP4.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol with MolForge

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol
CID 102376967
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739

Frequently Asked Questions

What is the IUPAC name of (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol?
The IUPAC name of (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol (CID 123540959) is (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol.
What is the SMILES notation for (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol?
The canonical SMILES for (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol is CC=C[C@H](O)CC(C)=CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol?
The InChIKey is SPTMSYNYWUWYRQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-9-15(18)12-14(2)10-11-16(19)13-20-21(6,7)17(3,4)5/h8-10,15-16,18-19H,11-13H2,1-7H3/t15-,16-/m0/s1.
What are the key properties of (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol?
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol has a molecular weight of 314.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol is sourced from PubChem (CID 123540959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).