(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol

C13H28O2Si — CID 102380375

IUPAC(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
SMILESCC/C=C/C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h8-9,12,14H,7,10-11H2,1-6H3/b9-8+/t12-/m1/s1
InChIKeyDPBLYXVITYDJPZ-IDVQTMNDSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds6

About (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol

(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol (PubChem CID 102380375) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
PubChem CID102380375
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
SMILESCC/C=C/C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h8-9,12,14H,7,10-11H2,1-6H3/b9-8+/t12-/m1/s1
InChIKeyDPBLYXVITYDJPZ-IDVQTMNDSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.73
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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Related Compounds

(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(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
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 11127690
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol
CID 11413584
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190
1-Tri(propan-2-yl)silyloxypent-4-en-2-ol
CID 12153136

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol?
The IUPAC name of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol (CID 102380375) is (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol.
What is the SMILES notation for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol?
The canonical SMILES for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol is CC/C=C/C[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol?
The InChIKey is DPBLYXVITYDJPZ-IDVQTMNDSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h8-9,12,14H,7,10-11H2,1-6H3/b9-8+/t12-/m1/s1.
What are the key properties of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol?
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol has a molecular weight of 244.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol is sourced from PubChem (CID 102380375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).