[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane

C22H37IOSi — CID 155934827

IUPAC[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane
SMILESC=C(I)C[C@@H](O[Si](C)(C)C)[C@]1(C)CC[C@@H]2C1=C[C@@]1(C)CCC(C)(C)[C@@H]21
InChIInChI=1S/C22H37IOSi/c1-15(23)13-18(24-25(6,7)8)22(5)10-9-16-17(22)14-21(4)12-11-20(2,3)19(16)21/h14,16,18-19H,1,9-13H2,2-8H3/t16-,18-,19-,21-,22-/m1/s1
InChIKeyKWXRNFCEKAXERZ-RTTUQUNYSA-N
MW472.53 g/mol
LogP7.34
Rot. Bonds5

About [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane

[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane (PubChem CID 155934827) has the molecular formula C22H37IOSi and a molecular weight of 472.53 g/mol. Its IUPAC name is [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane
PubChem CID155934827
Molecular FormulaC22H37IOSi
Molecular Weight472.53 g/mol
Exact Mass472.17
IUPAC Name[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane
SMILESC=C(I)C[C@@H](O[Si](C)(C)C)[C@]1(C)CC[C@@H]2C1=C[C@@]1(C)CCC(C)(C)[C@@H]21
InChIInChI=1S/C22H37IOSi/c1-15(23)13-18(24-25(6,7)8)22(5)10-9-16-17(22)14-21(4)12-11-20(2,3)19(16)21/h14,16,18-19H,1,9-13H2,2-8H3/t16-,18-,19-,21-,22-/m1/s1
InChIKeyKWXRNFCEKAXERZ-RTTUQUNYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane
CID 146168334
tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
CID 11119908

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane?
The IUPAC name of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane (CID 155934827) is [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane.
What is the SMILES notation for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane?
The canonical SMILES for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane is C=C(I)C[C@@H](O[Si](C)(C)C)[C@]1(C)CC[C@@H]2C1=C[C@@]1(C)CCC(C)(C)[C@@H]21.
What is the InChIKey of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane?
The InChIKey is KWXRNFCEKAXERZ-RTTUQUNYSA-N. The full InChI is InChI=1S/C22H37IOSi/c1-15(23)13-18(24-25(6,7)8)22(5)10-9-16-17(22)14-21(4)12-11-20(2,3)19(16)21/h14,16,18-19H,1,9-13H2,2-8H3/t16-,18-,19-,21-,22-/m1/s1.
What are the key properties of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane?
[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane has a molecular weight of 472.53 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane is sourced from PubChem (CID 155934827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).