(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol

C20H38O2Si — CID 134856772

IUPAC(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol
SMILESCC(O)C[C@H](/C=C/C=C\C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-17(21)16-19(22-23(5,6)20(2,3)4)15-11-10-14-18-12-8-7-9-13-18/h10-11,14-15,17-19,21H,7-9,12-13,16H2,1-6H3/b14-10-,15-11+/t17?,19-/m0/s1
InChIKeyFDFCXFJOCKNCNI-JGYMNBDOSA-N
MW338.61 g/mol
LogP5.84
Rot. Bonds7

About (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol

(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol (PubChem CID 134856772) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol.

Molecular Properties

Compound Name(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol
PubChem CID134856772
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol
SMILESCC(O)C[C@H](/C=C/C=C\C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-17(21)16-19(22-23(5,6)20(2,3)4)15-11-10-14-18-12-8-7-9-13-18/h10-11,14-15,17-19,21H,7-9,12-13,16H2,1-6H3/b14-10-,15-11+/t17?,19-/m0/s1
InChIKeyFDFCXFJOCKNCNI-JGYMNBDOSA-N
XLogP5.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol?
The IUPAC name of (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol (CID 134856772) is (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol.
What is the SMILES notation for (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol?
The canonical SMILES for (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol is CC(O)C[C@H](/C=C/C=C\C1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol?
The InChIKey is FDFCXFJOCKNCNI-JGYMNBDOSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-17(21)16-19(22-23(5,6)20(2,3)4)15-11-10-14-18-12-8-7-9-13-18/h10-11,14-15,17-19,21H,7-9,12-13,16H2,1-6H3/b14-10-,15-11+/t17?,19-/m0/s1.
What are the key properties of (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol?
(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol has a molecular weight of 338.61 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol is sourced from PubChem (CID 134856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).