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

C29H54O3Si2 — CID 56627148

IUPAC(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C29H54O3Si2/c1-12-16-24-23(25(30)21-27(24)32-34(10,11)29(5,6)7)19-20-26(22-17-14-13-15-18-22)31-33(8,9)28(2,3)4/h12,19-20,22-24,26-27H,1,13-18,21H2,2-11H3/t23-,24+,26-,27-/m1/s1
InChIKeyLPKRIAKZRJMHAG-NLXKVGEISA-N
MW506.92 g/mol
LogP8.69
Rot. Bonds9

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

(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one (PubChem CID 56627148) has the molecular formula C29H54O3Si2 and a molecular weight of 506.92 g/mol. Its IUPAC name is (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
PubChem CID56627148
Molecular FormulaC29H54O3Si2
Molecular Weight506.92 g/mol
Exact Mass506.36
IUPAC Name(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C29H54O3Si2/c1-12-16-24-23(25(30)21-27(24)32-34(10,11)29(5,6)7)19-20-26(22-17-14-13-15-18-22)31-33(8,9)28(2,3)4/h12,19-20,22-24,26-27H,1,13-18,21H2,2-11H3/t23-,24+,26-,27-/m1/s1
InChIKeyLPKRIAKZRJMHAG-NLXKVGEISA-N
XLogP8.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.92
LogP ≤ 58.69
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one (CID 56627148) is (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one is C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The InChIKey is LPKRIAKZRJMHAG-NLXKVGEISA-N. The full InChI is InChI=1S/C29H54O3Si2/c1-12-16-24-23(25(30)21-27(24)32-34(10,11)29(5,6)7)19-20-26(22-17-14-13-15-18-22)31-33(8,9)28(2,3)4/h12,19-20,22-24,26-27H,1,13-18,21H2,2-11H3/t23-,24+,26-,27-/m1/s1.
What are the key properties of (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one has a molecular weight of 506.92 g/mol, XLogP of 8.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 56627148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).