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

C21H44OSi2 — CID 134945497

IUPAC(3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)[C@@H](CC)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C21H44OSi2/c1-10-19(18(8)9)20(22)17-21(23(11-2,12-3)13-4)24(14-5,15-6)16-7/h17,19-20,22H,8,10-16H2,1-7,9H3/t19-,20+/m1/s1
InChIKeySQXIYBAKFKTSEN-UXHICEINSA-N
MW368.75 g/mol
LogP6.97
Rot. Bonds12

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

(3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (PubChem CID 134945497) has the molecular formula C21H44OSi2 and a molecular weight of 368.75 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
PubChem CID134945497
Molecular FormulaC21H44OSi2
Molecular Weight368.75 g/mol
Exact Mass368.29
IUPAC Name(3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)[C@@H](CC)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C21H44OSi2/c1-10-19(18(8)9)20(22)17-21(23(11-2,12-3)13-4)24(14-5,15-6)16-7/h17,19-20,22H,8,10-16H2,1-7,9H3/t19-,20+/m1/s1
InChIKeySQXIYBAKFKTSEN-UXHICEINSA-N
XLogP6.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.75
LogP ≤ 56.97
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-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The IUPAC name of (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (CID 134945497) is (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The canonical SMILES for (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is C=C(C)[C@@H](CC)[C@@H](O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The InChIKey is SQXIYBAKFKTSEN-UXHICEINSA-N. The full InChI is InChI=1S/C21H44OSi2/c1-10-19(18(8)9)20(22)17-21(23(11-2,12-3)13-4)24(14-5,15-6)16-7/h17,19-20,22H,8,10-16H2,1-7,9H3/t19-,20+/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
(3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol has a molecular weight of 368.75 g/mol, XLogP of 6.97, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 134945497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).