(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol

C13H28O2Si — CID 10634072

IUPAC(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
SMILESC[C@@H](/C=C\CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h8,10,12,14H,7,9,11H2,1-6H3/b10-8-/t12-/m0/s1
InChIKeyYKBYUMZMNXKXNF-CUZBXDDWSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds6

About (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol

(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol (PubChem CID 10634072) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol.

Molecular Properties

Compound Name(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
PubChem CID10634072
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
SMILESC[C@@H](/C=C\CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h8,10,12,14H,7,9,11H2,1-6H3/b10-8-/t12-/m0/s1
InChIKeyYKBYUMZMNXKXNF-CUZBXDDWSA-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': '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-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 174411016
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
CID 10445809
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(Z)-6-methylhept-4-en-1-ol
CID 13494537
(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258816
(5R,8S)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258818
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
CID 134983641
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877

Frequently Asked Questions

What is the IUPAC name of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol?
The IUPAC name of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol (CID 10634072) is (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol.
What is the SMILES notation for (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol?
The canonical SMILES for (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol is C[C@@H](/C=C\CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol?
The InChIKey is YKBYUMZMNXKXNF-CUZBXDDWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h8,10,12,14H,7,9,11H2,1-6H3/b10-8-/t12-/m0/s1.
What are the key properties of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol?
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-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 (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol is sourced from PubChem (CID 10634072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).