4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol

C17H32OSi — CID 162404137

IUPAC4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=CC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-14(13-19(5,6)7)12-17(18)10-8-15(9-11-17)16(2,3)4/h8,10,15,18H,1,9,11-13H2,2-7H3
InChIKeyWVPVWKZRLIUIFU-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.01
Rot. Bonds4

About 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol

4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol (PubChem CID 162404137) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
PubChem CID162404137
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=CC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-14(13-19(5,6)7)12-17(18)10-8-15(9-11-17)16(2,3)4/h8,10,15,18H,1,9,11-13H2,2-7H3
InChIKeyWVPVWKZRLIUIFU-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol (CID 162404137) is 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol is C=C(CC1(O)C=CC(C(C)(C)C)CC1)C[Si](C)(C)C.
What is the InChIKey of 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is WVPVWKZRLIUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-14(13-19(5,6)7)12-17(18)10-8-15(9-11-17)16(2,3)4/h8,10,15,18H,1,9,11-13H2,2-7H3.
What are the key properties of 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol?
4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 280.53 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 162404137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).