(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol

C21H46O3Si2 — CID 155663671

IUPAC(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESCC(C)[Si](O[C@H]1C[C@@H](O)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H46O3Si2/c1-15(2)26(16(3)4,17(5)6)24-20-13-19(22)12-18(20)14-23-25(10,11)21(7,8)9/h15-20,22H,12-14H2,1-11H3/t18-,19+,20+/m1/s1
InChIKeyZMWWWEAWGSRGQZ-AABGKKOBSA-N
MW402.77 g/mol
LogP6.34
Rot. Bonds8

About (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol

(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol (PubChem CID 155663671) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol.

Molecular Properties

Compound Name(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
PubChem CID155663671
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESCC(C)[Si](O[C@H]1C[C@@H](O)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H46O3Si2/c1-15(2)26(16(3)4,17(5)6)24-20-13-19(22)12-18(20)14-23-25(10,11)21(7,8)9/h15-20,22H,12-14H2,1-11H3/t18-,19+,20+/m1/s1
InChIKeyZMWWWEAWGSRGQZ-AABGKKOBSA-N
XLogP6.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-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 (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The IUPAC name of (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol (CID 155663671) is (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol.
What is the SMILES notation for (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The canonical SMILES for (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol is CC(C)[Si](O[C@H]1C[C@@H](O)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The InChIKey is ZMWWWEAWGSRGQZ-AABGKKOBSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-15(2)26(16(3)4,17(5)6)24-20-13-19(22)12-18(20)14-23-25(10,11)21(7,8)9/h15-20,22H,12-14H2,1-11H3/t18-,19+,20+/m1/s1.
What are the key properties of (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
(1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol has a molecular weight of 402.77 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentan-1-ol is sourced from PubChem (CID 155663671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).