(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol

C13H28O2Si — CID 134897288

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol
SMILESCCC/C=C/C(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/h9-10,12,14H,7-8,11H2,1-6H3/b10-9+
InChIKeyMNCAQVNUWKBZRU-MDZDMXLPSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds6

About (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol

(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol (PubChem CID 134897288) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol
PubChem CID134897288
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol
SMILESCCC/C=C/C(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/h9-10,12,14H,7-8,11H2,1-6H3/b10-9+
InChIKeyMNCAQVNUWKBZRU-MDZDMXLPSA-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

1-[(Tert-butyldimethylsilyl)oxy]but-3-en-2-ol
CID 10910595
(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
(R)-1-(tert-butyldimethylsilanyloxy)-3-buten-2-ol
CID 14185009
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
CID 141121837
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 11127690

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol (CID 134897288) is (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol is CCC/C=C/C(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol?
The InChIKey is MNCAQVNUWKBZRU-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h9-10,12,14H,7-8,11H2,1-6H3/b10-9+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol?
(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-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)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol is sourced from PubChem (CID 134897288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).