(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile

C28H51NO3Si2 — CID 122401895

IUPAC(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile
SMILESC=C[C@H](O)[C@@](C#N)(CCC(=C)C)[C@]1(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H51NO3Si2/c1-15-22(30)28(20-29,19-18-21(2)3)27(10)23(31-33(11,12)25(4,5)6)16-17-24(27)32-34(13,14)26(7,8)9/h15-16,22,24,30H,1-2,17-19H2,3-14H3/t22-,24+,27+,28-/m0/s1
InChIKeyOEHJUPNPMZJCLQ-QJGCUMMJSA-N
MW505.89 g/mol
LogP8.11
Rot. Bonds10

About (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile

(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile (PubChem CID 122401895) has the molecular formula C28H51NO3Si2 and a molecular weight of 505.89 g/mol. Its IUPAC name is (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile.

Molecular Properties

Compound Name(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile
PubChem CID122401895
Molecular FormulaC28H51NO3Si2
Molecular Weight505.89 g/mol
Exact Mass505.34
IUPAC Name(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile
SMILESC=C[C@H](O)[C@@](C#N)(CCC(=C)C)[C@]1(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H51NO3Si2/c1-15-22(30)28(20-29,19-18-21(2)3)27(10)23(31-33(11,12)25(4,5)6)16-17-24(27)32-34(13,14)26(7,8)9/h15-16,22,24,30H,1-2,17-19H2,3-14H3/t22-,24+,27+,28-/m0/s1
InChIKeyOEHJUPNPMZJCLQ-QJGCUMMJSA-N
XLogP8.11
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.89
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile 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)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile?
The IUPAC name of (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile (CID 122401895) is (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile.
What is the SMILES notation for (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile?
The canonical SMILES for (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile is C=C[C@H](O)[C@@](C#N)(CCC(=C)C)[C@]1(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile?
The InChIKey is OEHJUPNPMZJCLQ-QJGCUMMJSA-N. The full InChI is InChI=1S/C28H51NO3Si2/c1-15-22(30)28(20-29,19-18-21(2)3)27(10)23(31-33(11,12)25(4,5)6)16-17-24(27)32-34(13,14)26(7,8)9/h15-16,22,24,30H,1-2,17-19H2,3-14H3/t22-,24+,27+,28-/m0/s1.
What are the key properties of (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile?
(2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile has a molecular weight of 505.89 g/mol, XLogP of 8.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylcyclopent-2-en-1-yl]-2-[(1S)-1-hydroxyprop-2-enyl]-5-methylhex-5-enenitrile is sourced from PubChem (CID 122401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).