1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol

C22H42O2Si — CID 11014026

IUPAC1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol
SMILESC=C[C@@]1(O[Si](CC)(CC)CC)CCCCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C22H42O2Si/c1-8-22(24-25(9-2,10-3)11-4)16-14-12-13-15-20(22)17-21(23)19(7)18(5)6/h8,20-21,23H,1,9-17H2,2-7H3/t20-,21?,22-/m1/s1
InChIKeyZKWVPNHHXVRVEV-NHXNGRAPSA-N
MW366.66 g/mol
LogP6.62
Rot. Bonds9

About 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol

1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol (PubChem CID 11014026) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol
PubChem CID11014026
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol
SMILESC=C[C@@]1(O[Si](CC)(CC)CC)CCCCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C22H42O2Si/c1-8-22(24-25(9-2,10-3)11-4)16-14-12-13-15-20(22)17-21(23)19(7)18(5)6/h8,20-21,23H,1,9-17H2,2-7H3/t20-,21?,22-/m1/s1
InChIKeyZKWVPNHHXVRVEV-NHXNGRAPSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol?
The IUPAC name of 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol (CID 11014026) is 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol.
What is the SMILES notation for 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol?
The canonical SMILES for 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol is C=C[C@@]1(O[Si](CC)(CC)CC)CCCCC[C@@H]1CC(O)C(C)=C(C)C.
What is the InChIKey of 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol?
The InChIKey is ZKWVPNHHXVRVEV-NHXNGRAPSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-8-22(24-25(9-2,10-3)11-4)16-14-12-13-15-20(22)17-21(23)19(7)18(5)6/h8,20-21,23H,1,9-17H2,2-7H3/t20-,21?,22-/m1/s1.
What are the key properties of 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol?
1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol has a molecular weight of 366.66 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol is sourced from PubChem (CID 11014026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).