1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole

C34H66Si4 — CID 101039931

IUPAC1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole
SMILESCCCCCC1[Si](CC)(CC)c2cc3c(cc2[Si]1(CC)CC)[Si](CC)(CC)C(CCCCC)[Si]3(CC)CC
InChIInChI=1S/C34H66Si4/c1-11-21-23-25-33-35(13-3,14-4)29-27-31-32(28-30(29)36(33,15-5)16-6)38(19-9,20-10)34(26-24-22-12-2)37(31,17-7)18-8/h27-28,33-34H,11-26H2,1-10H3
InChIKeyWREGMDYUFSYFOW-UHFFFAOYSA-N
MW587.25 g/mol
LogP9.48
Rot. Bonds16

About 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole

1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole (PubChem CID 101039931) has the molecular formula C34H66Si4 and a molecular weight of 587.25 g/mol. Its IUPAC name is 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole.

Molecular Properties

Compound Name1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole
PubChem CID101039931
Molecular FormulaC34H66Si4
Molecular Weight587.25 g/mol
Exact Mass586.42
IUPAC Name1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole
SMILESCCCCCC1[Si](CC)(CC)c2cc3c(cc2[Si]1(CC)CC)[Si](CC)(CC)C(CCCCC)[Si]3(CC)CC
InChIInChI=1S/C34H66Si4/c1-11-21-23-25-33-35(13-3,14-4)29-27-31-32(28-30(29)36(33,15-5)16-6)38(19-9,20-10)34(26-24-22-12-2)37(31,17-7)18-8/h27-28,33-34H,11-26H2,1-10H3
InChIKeyWREGMDYUFSYFOW-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.25
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-undecylcyclopenta-1,3-diene
CID 141280590
hexane;pentylcyclopropane
CID 159592467
5-pentyl-1,2-dipropylcyclopenta-1,3-diene
CID 174262023
4-hexylcyclopentene
CID 10487053
(4S,5R)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963947
3-decylcyclobutene
CID 174421846
(4S,5S)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963946
octadecane;pentadecylcyclopropane
CID 173301851
(2S,3S)-2,3-dioctyloxirane
CID 71399050

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole?
The IUPAC name of 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole (CID 101039931) is 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole.
What is the SMILES notation for 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole?
The canonical SMILES for 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole is CCCCCC1[Si](CC)(CC)c2cc3c(cc2[Si]1(CC)CC)[Si](CC)(CC)C(CCCCC)[Si]3(CC)CC.
What is the InChIKey of 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole?
The InChIKey is WREGMDYUFSYFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66Si4/c1-11-21-23-25-33-35(13-3,14-4)29-27-31-32(28-30(29)36(33,15-5)16-6)38(19-9,20-10)34(26-24-22-12-2)37(31,17-7)18-8/h27-28,33-34H,11-26H2,1-10H3.
What are the key properties of 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole?
1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole has a molecular weight of 587.25 g/mol, XLogP of 9.48, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole is sourced from PubChem (CID 101039931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).