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

C23H32O2Si — CID 71812684

IUPAC(4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-6-13-20(24)18-19(2)25-26(23(3,4)5,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,19-20,24H,1,13,18H2,2-5H3/t19-,20+/m0/s1
InChIKeyMHGDQRDNWPRUOQ-VQTJNVASSA-N
MW368.59 g/mol
LogP4.28
Rot. Bonds8

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

(4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol (PubChem CID 71812684) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol.

Molecular Properties

Compound Name(4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol
PubChem CID71812684
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-6-13-20(24)18-19(2)25-26(23(3,4)5,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,19-20,24H,1,13,18H2,2-5H3/t19-,20+/m0/s1
InChIKeyMHGDQRDNWPRUOQ-VQTJNVASSA-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': '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 (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol?
The IUPAC name of (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol (CID 71812684) is (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol.
What is the SMILES notation for (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol?
The canonical SMILES for (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol is C=CC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol?
The InChIKey is MHGDQRDNWPRUOQ-VQTJNVASSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-6-13-20(24)18-19(2)25-26(23(3,4)5,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,19-20,24H,1,13,18H2,2-5H3/t19-,20+/m0/s1.
What are the key properties of (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol?
(4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-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 (4R,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-ol is sourced from PubChem (CID 71812684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).