disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate

C18H34O12Si4 — CID 123145346

IUPACdisilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate
SMILESO=C(CCCC(OC(=O)CCCCC(=O)OC(CCCC(=O)O[SiH3])C(=O)O[SiH3])C(=O)O[SiH3])O[SiH3]
InChIInChI=1S/C18H34O12Si4/c19-13(25-11(17(23)29-33)5-3-9-15(21)27-31)7-1-2-8-14(20)26-12(18(24)30-34)6-4-10-16(22)28-32/h11-12H,1-10H2,31-34H3
InChIKeyNXTFEHKDDRICFS-UHFFFAOYSA-N
MW554.80 g/mol
LogP-3.99
Rot. Bonds17

About disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate

disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate (PubChem CID 123145346) has the molecular formula C18H34O12Si4 and a molecular weight of 554.80 g/mol. Its IUPAC name is disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate.

Molecular Properties

Compound Namedisilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate
PubChem CID123145346
Molecular FormulaC18H34O12Si4
Molecular Weight554.80 g/mol
Exact Mass554.11
IUPAC Namedisilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate
SMILESO=C(CCCC(OC(=O)CCCCC(=O)OC(CCCC(=O)O[SiH3])C(=O)O[SiH3])C(=O)O[SiH3])O[SiH3]
InChIInChI=1S/C18H34O12Si4/c19-13(25-11(17(23)29-33)5-3-9-15(21)27-31)7-1-2-8-14(20)26-12(18(24)30-34)6-4-10-16(22)28-32/h11-12H,1-10H2,31-34H3
InChIKeyNXTFEHKDDRICFS-UHFFFAOYSA-N
XLogP-3.99
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.80
LogP ≤ 5-3.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate with MolForge

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Related Compounds

silyl 5-propyloctanoate
CID 174709866
2-methylpropyl 2-octadecanoyloxyoctadecanoate
CID 139602810
[1-[2,3-bis(2-octadecanoyloxydodecanoyloxy)propoxy]-1-oxododecan-2-yl] octadecanoate
CID 23325238
2-pentadecanoyloxytetradecanoic acid
CID 133048599
2-octadecanoyloxytetracosanoic acid
CID 133049381
2-hexadecanoyloxypentadecanoic acid
CID 133048852
ethyl 2-butanoyloxyheptanoate
CID 134605685
2-docosanoyloxytetradecanoic acid
CID 133050681
2-heptadecanoyloxytetradecanoic acid
CID 133049056
2-tetradecanoyloxytetradecanoic acid
CID 10503916
bis(1,6-diaminohexyl) dodecanedioate
CID 57199715
bis(1-ethoxycarbonyloxyethyl) hexanedioate
CID 87582906

Frequently Asked Questions

What is the IUPAC name of disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate?
The IUPAC name of disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate (CID 123145346) is disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate.
What is the SMILES notation for disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate?
The canonical SMILES for disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate is O=C(CCCC(OC(=O)CCCCC(=O)OC(CCCC(=O)O[SiH3])C(=O)O[SiH3])C(=O)O[SiH3])O[SiH3].
What is the InChIKey of disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate?
The InChIKey is NXTFEHKDDRICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O12Si4/c19-13(25-11(17(23)29-33)5-3-9-15(21)27-31)7-1-2-8-14(20)26-12(18(24)30-34)6-4-10-16(22)28-32/h11-12H,1-10H2,31-34H3.
What are the key properties of disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate?
disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate has a molecular weight of 554.80 g/mol, XLogP of -3.99, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate is sourced from PubChem (CID 123145346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).