(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol

C16H32O2Si — CID 11098093

IUPAC(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CC[C@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)9-10-15(17)14(3)11-12-18-19(7,8)16(4,5)6/h9,11,15,17H,10,12H2,1-8H3/b14-11+/t15-/m0/s1
InChIKeyFBJMVWCWAUYNHE-GOFCXVBSSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds6

About (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol

(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol (PubChem CID 11098093) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
PubChem CID11098093
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CC[C@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)9-10-15(17)14(3)11-12-18-19(7,8)16(4,5)6/h9,11,15,17H,10,12H2,1-8H3/b14-11+/t15-/m0/s1
InChIKeyFBJMVWCWAUYNHE-GOFCXVBSSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The IUPAC name of (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol (CID 11098093) is (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol.
What is the SMILES notation for (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The canonical SMILES for (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol is CC(C)=CC[C@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The InChIKey is FBJMVWCWAUYNHE-GOFCXVBSSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(2)9-10-15(17)14(3)11-12-18-19(7,8)16(4,5)6/h9,11,15,17H,10,12H2,1-8H3/b14-11+/t15-/m0/s1.
What are the key properties of (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol is sourced from PubChem (CID 11098093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).