5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde

C20H28O2Si — CID 134885101

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC(C)=C(C=O)C1
InChIInChI=1S/C20H28O2Si/c1-8-9-10-11-13-20(22-23(6,7)19(3,4)5)14-12-17(2)18(15-20)16-21/h1,9-10,16H,12,14-15H2,2-7H3/b10-9-
InChIKeyBRSBASBTHTVONG-KTKRTIGZSA-N
MW328.53 g/mol
LogP4.64
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde (PubChem CID 134885101) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde
PubChem CID134885101
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC(C)=C(C=O)C1
InChIInChI=1S/C20H28O2Si/c1-8-9-10-11-13-20(22-23(6,7)19(3,4)5)14-12-17(2)18(15-20)16-21/h1,9-10,16H,12,14-15H2,2-7H3/b10-9-
InChIKeyBRSBASBTHTVONG-KTKRTIGZSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde (CID 134885101) is 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde is C#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC(C)=C(C=O)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde?
The InChIKey is BRSBASBTHTVONG-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-8-9-10-11-13-20(22-23(6,7)19(3,4)5)14-12-17(2)18(15-20)16-21/h1,9-10,16H,12,14-15H2,2-7H3/b10-9-.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde has a molecular weight of 328.53 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]-2-methylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 134885101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).