(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol

C23H34OSi — CID 15503822

IUPAC(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol
SMILESCCCC[C@@H]([C@@H](C)O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34OSi/c1-6-7-18-22(19(2)24)25(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22,24H,6-7,18H2,1-5H3/t19-,22+/m1/s1
InChIKeySIUMNDNSWNKZSM-KNQAVFIVSA-N
MW354.61 g/mol
LogP4.99
Rot. Bonds7

About (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol

(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol (PubChem CID 15503822) has the molecular formula C23H34OSi and a molecular weight of 354.61 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol
PubChem CID15503822
Molecular FormulaC23H34OSi
Molecular Weight354.61 g/mol
Exact Mass354.24
IUPAC Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol
SMILESCCCC[C@@H]([C@@H](C)O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34OSi/c1-6-7-18-22(19(2)24)25(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22,24H,6-7,18H2,1-5H3/t19-,22+/m1/s1
InChIKeySIUMNDNSWNKZSM-KNQAVFIVSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol?
The IUPAC name of (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol (CID 15503822) is (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol?
The canonical SMILES for (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol is CCCC[C@@H]([C@@H](C)O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol?
The InChIKey is SIUMNDNSWNKZSM-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H34OSi/c1-6-7-18-22(19(2)24)25(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22,24H,6-7,18H2,1-5H3/t19-,22+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol?
(2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol has a molecular weight of 354.61 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(diphenyl)silyl]heptan-2-ol is sourced from PubChem (CID 15503822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).