(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one

C29H52O3Si2 — CID 56609877

IUPAC(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1[C@H](C=CCC2CCC=C(O[Si](C)(C)C(C)(C)C)C2)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H52O3Si2/c1-12-15-25-24(26(30)21-27(25)32-34(10,11)29(5,6)7)19-14-17-22-16-13-18-23(20-22)31-33(8,9)28(2,3)4/h12,14,18-19,22,24-25,27H,1,13,15-17,20-21H2,2-11H3/t22?,24-,25+,27+/m0/s1
InChIKeyBDMAZJILIJWYBL-BNYVUSQPSA-N
MW504.90 g/mol
LogP8.81
Rot. Bonds9

About (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one

(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one (PubChem CID 56609877) has the molecular formula C29H52O3Si2 and a molecular weight of 504.90 g/mol. Its IUPAC name is (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one
PubChem CID56609877
Molecular FormulaC29H52O3Si2
Molecular Weight504.90 g/mol
Exact Mass504.35
IUPAC Name(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1[C@H](C=CCC2CCC=C(O[Si](C)(C)C(C)(C)C)C2)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H52O3Si2/c1-12-15-25-24(26(30)21-27(25)32-34(10,11)29(5,6)7)19-14-17-22-16-13-18-23(20-22)31-33(8,9)28(2,3)4/h12,14,18-19,22,24-25,27H,1,13,15-17,20-21H2,2-11H3/t22?,24-,25+,27+/m0/s1
InChIKeyBDMAZJILIJWYBL-BNYVUSQPSA-N
XLogP8.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.90
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one 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 (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one (CID 56609877) is (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one is C=CC[C@@H]1[C@H](C=CCC2CCC=C(O[Si](C)(C)C(C)(C)C)C2)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The InChIKey is BDMAZJILIJWYBL-BNYVUSQPSA-N. The full InChI is InChI=1S/C29H52O3Si2/c1-12-15-25-24(26(30)21-27(25)32-34(10,11)29(5,6)7)19-14-17-22-16-13-18-23(20-22)31-33(8,9)28(2,3)4/h12,14,18-19,22,24-25,27H,1,13,15-17,20-21H2,2-11H3/t22?,24-,25+,27+/m0/s1.
What are the key properties of (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one has a molecular weight of 504.90 g/mol, XLogP of 8.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]prop-1-enyl]-3-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 56609877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).