1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane

C18H42O4Si2 — CID 173016785

IUPAC1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
SMILESCCCOC(C)(OCCC)[SiH2]CC[SiH2]C(C)(OCCC)OCCC
InChIInChI=1S/C18H42O4Si2/c1-7-11-19-17(5,20-12-8-2)23-15-16-24-18(6,21-13-9-3)22-14-10-4/h7-16,23-24H2,1-6H3
InChIKeyKILKBJXBMXQKRT-UHFFFAOYSA-N
MW378.70 g/mol
LogP3.21
Rot. Bonds17

About 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane

1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane (PubChem CID 173016785) has the molecular formula C18H42O4Si2 and a molecular weight of 378.70 g/mol. Its IUPAC name is 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane.

Molecular Properties

Compound Name1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
PubChem CID173016785
Molecular FormulaC18H42O4Si2
Molecular Weight378.70 g/mol
Exact Mass378.26
IUPAC Name1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
SMILESCCCOC(C)(OCCC)[SiH2]CC[SiH2]C(C)(OCCC)OCCC
InChIInChI=1S/C18H42O4Si2/c1-7-11-19-17(5,20-12-8-2)23-15-16-24-18(6,21-13-9-3)22-14-10-4/h7-16,23-24H2,1-6H3
InChIKeyKILKBJXBMXQKRT-UHFFFAOYSA-N
XLogP3.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-dipropoxyethoxy)propane
CID 21433420
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
1,1-dipropoxyethylsilane
CID 173115072
3-bromopropyl(1,1-diethoxyethyl)silane
CID 173419111
4-(1,1-diethoxyethylsilyl)butan-1-amine
CID 71340300
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
2-methyl-2-propoxyhexane
CID 91043348
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
CID 173017003
1,1-dichloro-1-propoxypropane
CID 87434594
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619

Frequently Asked Questions

What is the IUPAC name of 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane?
The IUPAC name of 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane (CID 173016785) is 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane.
What is the SMILES notation for 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane?
The canonical SMILES for 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane is CCCOC(C)(OCCC)[SiH2]CC[SiH2]C(C)(OCCC)OCCC.
What is the InChIKey of 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane?
The InChIKey is KILKBJXBMXQKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O4Si2/c1-7-11-19-17(5,20-12-8-2)23-15-16-24-18(6,21-13-9-3)22-14-10-4/h7-16,23-24H2,1-6H3.
What are the key properties of 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane?
1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane has a molecular weight of 378.70 g/mol, XLogP of 3.21, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane is sourced from PubChem (CID 173016785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).