(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol

C20H42OSi2 — CID 135020836

IUPAC(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)[C@@H](C)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C20H42OSi2/c1-10-22(11-2,12-3)20(23(13-4,14-5)15-6)16-19(21)18(9)17(7)8/h16,18-19,21H,7,10-15H2,1-6,8-9H3/t18-,19+/m1/s1
InChIKeyFDFBNEKMXFVLAF-MOPGFXCFSA-N
MW354.73 g/mol
LogP6.58
Rot. Bonds11

About (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol

(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (PubChem CID 135020836) has the molecular formula C20H42OSi2 and a molecular weight of 354.73 g/mol. Its IUPAC name is (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
PubChem CID135020836
Molecular FormulaC20H42OSi2
Molecular Weight354.73 g/mol
Exact Mass354.28
IUPAC Name(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)[C@@H](C)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C20H42OSi2/c1-10-22(11-2,12-3)20(23(13-4,14-5)15-6)16-19(21)18(9)17(7)8/h16,18-19,21H,7,10-15H2,1-6,8-9H3/t18-,19+/m1/s1
InChIKeyFDFBNEKMXFVLAF-MOPGFXCFSA-N
XLogP6.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.73
LogP ≤ 56.58
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 (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The IUPAC name of (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (CID 135020836) is (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The canonical SMILES for (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is C=C(C)[C@@H](C)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The InChIKey is FDFBNEKMXFVLAF-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H42OSi2/c1-10-22(11-2,12-3)20(23(13-4,14-5)15-6)16-19(21)18(9)17(7)8/h16,18-19,21H,7,10-15H2,1-6,8-9H3/t18-,19+/m1/s1.
What are the key properties of (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
(3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol has a molecular weight of 354.73 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4,5-dimethyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 135020836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).