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

C23H32O2Si — CID 15249293

IUPAC(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol
SMILESC[C@@H](/C=C\CCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-20(14-8-7-13-19-24)25-26(23(2,3)4,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,8-12,14-18,20,24H,7,13,19H2,1-4H3/b14-8-/t20-/m0/s1
InChIKeyWLINILBVMJVJFK-UEOBAOCASA-N
MW368.59 g/mol
LogP4.28
Rot. Bonds8

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

(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol (PubChem CID 15249293) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol.

Molecular Properties

Compound Name(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol
PubChem CID15249293
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol
SMILESC[C@@H](/C=C\CCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-20(14-8-7-13-19-24)25-26(23(2,3)4,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,8-12,14-18,20,24H,7,13,19H2,1-4H3/b14-8-/t20-/m0/s1
InChIKeyWLINILBVMJVJFK-UEOBAOCASA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.28
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(diphenyl)silyl]oxyhept-4-en-1-ol?
The IUPAC name of (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol (CID 15249293) is (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol.
What is the SMILES notation for (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol?
The canonical SMILES for (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol is C[C@@H](/C=C\CCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol?
The InChIKey is WLINILBVMJVJFK-UEOBAOCASA-N. The full InChI is InChI=1S/C23H32O2Si/c1-20(14-8-7-13-19-24)25-26(23(2,3)4,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,8-12,14-18,20,24H,7,13,19H2,1-4H3/b14-8-/t20-/m0/s1.
What are the key properties of (Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol?
(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-en-1-ol has a molecular weight of 368.59 g/mol, XLogP of 4.28, 8 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(diphenyl)silyl]oxyhept-4-en-1-ol is sourced from PubChem (CID 15249293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).