(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol

C18H38O3Si — CID 59483107

IUPAC(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol
SMILESC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C(C)(C)[C@@]1(O)CO
InChIInChI=1S/C18H38O3Si/c1-13-14(11-21-22(9,10)15(2,3)4)16(5,6)17(7,8)18(13,20)12-19/h13-14,19-20H,11-12H2,1-10H3/t13-,14-,18+/m0/s1
InChIKeyJTCCQNQZSVNCJO-SUNYJGFJSA-N
MW330.59 g/mol
LogP4.05
Rot. Bonds4

About (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol

(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol (PubChem CID 59483107) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol
PubChem CID59483107
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol
SMILESC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C(C)(C)[C@@]1(O)CO
InChIInChI=1S/C18H38O3Si/c1-13-14(11-21-22(9,10)15(2,3)4)16(5,6)17(7,8)18(13,20)12-19/h13-14,19-20H,11-12H2,1-10H3/t13-,14-,18+/m0/s1
InChIKeyJTCCQNQZSVNCJO-SUNYJGFJSA-N
XLogP4.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol?
The IUPAC name of (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol (CID 59483107) is (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol.
What is the SMILES notation for (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol?
The canonical SMILES for (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol is C[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C(C)(C)[C@@]1(O)CO.
What is the InChIKey of (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol?
The InChIKey is JTCCQNQZSVNCJO-SUNYJGFJSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-13-14(11-21-22(9,10)15(2,3)4)16(5,6)17(7,8)18(13,20)12-19/h13-14,19-20H,11-12H2,1-10H3/t13-,14-,18+/m0/s1.
What are the key properties of (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol?
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol has a molecular weight of 330.59 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol is sourced from PubChem (CID 59483107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).