3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol

C20H40O2Si2 — CID 11552406

IUPAC3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol
SMILESCCC(O)(CC)C(=C=C=C(C(O)(CC)CC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-11-19(21,12-2)17(23(5,6)7)15-16-18(24(8,9)10)20(22,13-3)14-4/h21-22H,11-14H2,1-10H3/b18-17-
InChIKeyRKQSHDQQKCQTGP-ZCXUNETKSA-N
MW368.71 g/mol
LogP5.45
Rot. Bonds8

About 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol

3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol (PubChem CID 11552406) has the molecular formula C20H40O2Si2 and a molecular weight of 368.71 g/mol. Its IUPAC name is 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol.

Molecular Properties

Compound Name3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol
PubChem CID11552406
Molecular FormulaC20H40O2Si2
Molecular Weight368.71 g/mol
Exact Mass368.26
IUPAC Name3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol
SMILESCCC(O)(CC)C(=C=C=C(C(O)(CC)CC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-11-19(21,12-2)17(23(5,6)7)15-16-18(24(8,9)10)20(22,13-3)14-4/h21-22H,11-14H2,1-10H3/b18-17-
InChIKeyRKQSHDQQKCQTGP-ZCXUNETKSA-N
XLogP5.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol with MolForge

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Related Compounds

3-ethyl-2-trimethylsilylpent-1-en-3-ol
CID 10976215
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
1-chloro-3-ethylpent-1-yn-3-ol
CID 24092
3-ethyl-2-methoxypent-1-en-3-ol
CID 89149604
3-ethyl-2-methyliminopentan-3-ol;thulium
CID 153491886
3-aminohex-4-yn-3-ol
CID 172783999
1-[hydroxy(dimethyl)silyl]-2-methylbutan-2-ol
CID 173175101
1,1-diiodopropan-1-ol
CID 54306694
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519
1-[diethoxy(methyl)silyl]propane-1,1-diol
CID 142706911

Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol?
The IUPAC name of 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol (CID 11552406) is 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol.
What is the SMILES notation for 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol?
The canonical SMILES for 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol is CCC(O)(CC)C(=C=C=C(C(O)(CC)CC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol?
The InChIKey is RKQSHDQQKCQTGP-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H40O2Si2/c1-11-19(21,12-2)17(23(5,6)7)15-16-18(24(8,9)10)20(22,13-3)14-4/h21-22H,11-14H2,1-10H3/b18-17-.
What are the key properties of 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol?
3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol has a molecular weight of 368.71 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-4,7-bis(trimethylsilyl)deca-4,5,6-triene-3,8-diol is sourced from PubChem (CID 11552406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).