2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol

C23H50O4Si2 — CID 134940448

IUPAC2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
SMILESC[C@@H](O)CCC1(O)CC1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-18(24)12-14-23(25)17-19(23)16-20(27-29(10,11)22(5,6)7)13-15-26-28(8,9)21(2,3)4/h18-20,24-25H,12-17H2,1-11H3/t18-,19?,20-,23?/m1/s1
InChIKeyYSZMRSMLUWOXOB-TVJQWHPQSA-N
MW446.82 g/mol
LogP6.09
Rot. Bonds11

About 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol

2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol (PubChem CID 134940448) has the molecular formula C23H50O4Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
PubChem CID134940448
Molecular FormulaC23H50O4Si2
Molecular Weight446.82 g/mol
Exact Mass446.32
IUPAC Name2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
SMILESC[C@@H](O)CCC1(O)CC1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-18(24)12-14-23(25)17-19(23)16-20(27-29(10,11)22(5,6)7)13-15-26-28(8,9)21(2,3)4/h18-20,24-25H,12-17H2,1-11H3/t18-,19?,20-,23?/m1/s1
InChIKeyYSZMRSMLUWOXOB-TVJQWHPQSA-N
XLogP6.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol with MolForge

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Related Compounds

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol
CID 174046507
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
CID 59051785
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955847
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(4R,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11152254
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol?
The IUPAC name of 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol (CID 134940448) is 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol.
What is the SMILES notation for 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol?
The canonical SMILES for 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol is C[C@@H](O)CCC1(O)CC1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol?
The InChIKey is YSZMRSMLUWOXOB-TVJQWHPQSA-N. The full InChI is InChI=1S/C23H50O4Si2/c1-18(24)12-14-23(25)17-19(23)16-20(27-29(10,11)22(5,6)7)13-15-26-28(8,9)21(2,3)4/h18-20,24-25H,12-17H2,1-11H3/t18-,19?,20-,23?/m1/s1.
What are the key properties of 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol?
2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol has a molecular weight of 446.82 g/mol, XLogP of 6.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol is sourced from PubChem (CID 134940448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).