(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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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).