(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol

C25H46O3Si3 — CID 11016297

IUPAC(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESC#CC[C@]1(O)C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O3Si3/c1-15-17-25(26)20(16-18-29(8,9)10)19-21(27-30(11,12)23(2,3)4)22(25)28-31(13,14)24(5,6)7/h1,19,21-22,26H,17H2,2-14H3/t21-,22+,25+/m1/s1
InChIKeyKAVLIPUZSWQPCF-SLSDLSHTSA-N
MW478.90 g/mol
LogP6.34
Rot. Bonds5

About (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (PubChem CID 11016297) has the molecular formula C25H46O3Si3 and a molecular weight of 478.90 g/mol. Its IUPAC name is (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
PubChem CID11016297
Molecular FormulaC25H46O3Si3
Molecular Weight478.90 g/mol
Exact Mass478.28
IUPAC Name(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESC#CC[C@]1(O)C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O3Si3/c1-15-17-25(26)20(16-18-29(8,9)10)19-21(27-30(11,12)23(2,3)4)22(25)28-31(13,14)24(5,6)7/h1,19,21-22,26H,17H2,2-14H3/t21-,22+,25+/m1/s1
InChIKeyKAVLIPUZSWQPCF-SLSDLSHTSA-N
XLogP6.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.90
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1S,2R,6R,7S)-1,2,10a-tris[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol
CID 134976996
(4R,5S)-1-(4-bromobut-2-ynyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 11050057
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 15233711
2,5,5-trimethyl-1-[(E)-3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl]-4-trimethylsilyloxycyclopent-2-en-1-ol
CID 20340080
5-[2,5,5-Trimethyl-1-hydroxy-4-[(trimethylsilyl)oxy]-cyclopent-2-en-1-yl]-3-methyl-1-[(trimethylsilyl)oxy]-pent-2-en-4-yne
CID 54234765
(1RS,4RS)-4-hydroxy-4-(3-trimethylsilyl-2-propynyl)-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 86754280
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulene-3a,7-diol
CID 88489575
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616238
(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol
CID 139616239
(2S,3R)-1-(4-bromobut-2-ynyl)-2-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl]cyclopent-4-ene-1,3-diol
CID 139616245
(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
CID 139616250
(1S,2R,6Z)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-12a-trimethylsilyloxy-4,5,10,11-tetradehydro-2,8,9,12-tetrahydro-1H-cyclopenta[11]annulen-9-ol
CID 139616252

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (CID 11016297) is (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is C#CC[C@]1(O)C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The InChIKey is KAVLIPUZSWQPCF-SLSDLSHTSA-N. The full InChI is InChI=1S/C25H46O3Si3/c1-15-17-25(26)20(16-18-29(8,9)10)19-21(27-30(11,12)23(2,3)4)22(25)28-31(13,14)24(5,6)7/h1,19,21-22,26H,17H2,2-14H3/t21-,22+,25+/m1/s1.
What are the key properties of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol has a molecular weight of 478.90 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 11016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).