(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol

C16H34O3Si — CID 10590512

IUPAC(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol
SMILESC[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]1(O)CCCO
InChIInChI=1S/C16H34O3Si/c1-13-8-9-14(16(13,18)10-7-11-17)12-19-20(5,6)15(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t13-,14-,16+/m0/s1
InChIKeyUGNFFIVIEDILBB-OFQRWUPVSA-N
MW302.53 g/mol
LogP3.56
Rot. Bonds6

About (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol

(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol (PubChem CID 10590512) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol
PubChem CID10590512
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol
SMILESC[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]1(O)CCCO
InChIInChI=1S/C16H34O3Si/c1-13-8-9-14(16(13,18)10-7-11-17)12-19-20(5,6)15(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t13-,14-,16+/m0/s1
InChIKeyUGNFFIVIEDILBB-OFQRWUPVSA-N
XLogP3.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol?
The IUPAC name of (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol (CID 10590512) is (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol is C[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]1(O)CCCO.
What is the InChIKey of (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol?
The InChIKey is UGNFFIVIEDILBB-OFQRWUPVSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-13-8-9-14(16(13,18)10-7-11-17)12-19-20(5,6)15(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t13-,14-,16+/m0/s1.
What are the key properties of (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol?
(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol has a molecular weight of 302.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(3-hydroxypropyl)-5-methylcyclopentan-1-ol is sourced from PubChem (CID 10590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).