(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol

C23H32O2Si — CID 11068613

IUPAC(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol
SMILESC=C(C)C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-19(2)18-20(24)16-17-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,24H,1,16-18H2,2-5H3/t20-/m0/s1
InChIKeyNQCAAGXKYAMVPT-FQEVSTJZSA-N
MW368.59 g/mol
LogP4.28
Rot. Bonds8

About (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol

(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol (PubChem CID 11068613) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol
PubChem CID11068613
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol
SMILESC=C(C)C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-19(2)18-20(24)16-17-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,24H,1,16-18H2,2-5H3/t20-/m0/s1
InChIKeyNQCAAGXKYAMVPT-FQEVSTJZSA-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 (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol (CID 11068613) is (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol is C=C(C)C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol?
The InChIKey is NQCAAGXKYAMVPT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-19(2)18-20(24)16-17-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,24H,1,16-18H2,2-5H3/t20-/m0/s1.
What are the key properties of (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol?
(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-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 (3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol is sourced from PubChem (CID 11068613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).