(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol

C16H34O4Si — CID 174046507

IUPAC(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol
SMILESC[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H34O4Si/c1-12(14-11-18-16(5,6)20-14)13(17)9-10-19-21(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-/m1/s1
InChIKeyQVMAJOBUWKWDRJ-HZSPNIEDSA-N
MW318.53 g/mol
LogP3.55
Rot. Bonds6

About (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol

(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol (PubChem CID 174046507) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol
PubChem CID174046507
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol
SMILESC[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H34O4Si/c1-12(14-11-18-16(5,6)20-14)13(17)9-10-19-21(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-/m1/s1
InChIKeyQVMAJOBUWKWDRJ-HZSPNIEDSA-N
XLogP3.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 16655821
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 14061487
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoate
CID 11067559

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol?
The IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol (CID 174046507) is (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol.
What is the SMILES notation for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol?
The canonical SMILES for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol is C[C@H]([C@@H](O)CCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol?
The InChIKey is QVMAJOBUWKWDRJ-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-12(14-11-18-16(5,6)20-14)13(17)9-10-19-21(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-/m1/s1.
What are the key properties of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol?
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol has a molecular weight of 318.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol is sourced from PubChem (CID 174046507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).