cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol

C28H34O3Si — CID 20691703

IUPACcis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
SMILESCC(C)(C)[Si](Oc1cccc(C[C@@]2(O)CCC[C@@H]2O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si/c1-27(2,3)32(24-14-6-4-7-15-24,25-16-8-5-9-17-25)31-23-13-10-12-22(20-23)21-28(30)19-11-18-26(28)29/h4-10,12-17,20,26,29-30H,11,18-19,21H2,1-3H3/t26-,28-/m0/s1
InChIKeyDUYCAUWQQVMCII-XCZPVHLTSA-N
MW446.66 g/mol
LogP4.44
Rot. Bonds6

About cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol

cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol (PubChem CID 20691703) has the molecular formula C28H34O3Si and a molecular weight of 446.66 g/mol. Its IUPAC name is cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
PubChem CID20691703
Molecular FormulaC28H34O3Si
Molecular Weight446.66 g/mol
Exact Mass446.23
IUPAC Namecis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
SMILESCC(C)(C)[Si](Oc1cccc(C[C@@]2(O)CCC[C@@H]2O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3Si/c1-27(2,3)32(24-14-6-4-7-15-24,25-16-8-5-9-17-25)31-23-13-10-12-22(20-23)21-28(30)19-11-18-26(28)29/h4-10,12-17,20,26,29-30H,11,18-19,21H2,1-3H3/t26-,28-/m0/s1
InChIKeyDUYCAUWQQVMCII-XCZPVHLTSA-N
XLogP4.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
CID 86757468
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735626
methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
CID 57443556
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
CID 163246812
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
[3-[3-[4-[3,3-bis[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-3-phenylprop-1-ynyl]phenyl]-1-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenylprop-2-ynyl]phenoxy]-tert-butyl-diphenylsilane
CID 71489339
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982
(11'R)-3'-[tert-butyl(diphenyl)silyl]oxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-11'-ol
CID 59032115

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol (CID 20691703) is cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol is CC(C)(C)[Si](Oc1cccc(C[C@@]2(O)CCC[C@@H]2O)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol?
The InChIKey is DUYCAUWQQVMCII-XCZPVHLTSA-N. The full InChI is InChI=1S/C28H34O3Si/c1-27(2,3)32(24-14-6-4-7-15-24,25-16-8-5-9-17-25)31-23-13-10-12-22(20-23)21-28(30)19-11-18-26(28)29/h4-10,12-17,20,26,29-30H,11,18-19,21H2,1-3H3/t26-,28-/m0/s1.
What are the key properties of cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol?
cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol has a molecular weight of 446.66 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 20691703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).