[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane

C29H62O3S2Si — CID 173079384

IUPAC[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane
SMILESCCCCCCCCCCCCOSC([SiH3])(SOCCCCCCCCCCCC)C(C)OCC
InChIInChI=1S/C29H62O3S2Si/c1-5-8-10-12-14-16-18-20-22-24-26-31-33-29(35,28(4)30-7-3)34-32-27-25-23-21-19-17-15-13-11-9-6-2/h28H,5-27H2,1-4,35H3
InChIKeyOOOLZYUHYHKLLR-UHFFFAOYSA-N
MW551.03 g/mol
LogP9.60
Rot. Bonds29

About [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane

[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane (PubChem CID 173079384) has the molecular formula C29H62O3S2Si and a molecular weight of 551.03 g/mol. Its IUPAC name is [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane.

Molecular Properties

Compound Name[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane
PubChem CID173079384
Molecular FormulaC29H62O3S2Si
Molecular Weight551.03 g/mol
Exact Mass550.39
IUPAC Name[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane
SMILESCCCCCCCCCCCCOSC([SiH3])(SOCCCCCCCCCCCC)C(C)OCC
InChIInChI=1S/C29H62O3S2Si/c1-5-8-10-12-14-16-18-20-22-24-26-31-33-29(35,28(4)30-7-3)34-32-27-25-23-21-19-17-15-13-11-9-6-2/h28H,5-27H2,1-4,35H3
InChIKeyOOOLZYUHYHKLLR-UHFFFAOYSA-N
XLogP9.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.03
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexoxypropylsilane
CID 174351834
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
octoxy thiohypoiodite
CID 134267423
1-pentan-3-yloxydecane
CID 173279604
didodecoxymethylsilane
CID 172799979
tetracosoxy thiohypoiodite
CID 175742005
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
1-(1-ethoxyethylsulfanyl)dodecane
CID 173426954
2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352
heptyl 2-ethoxypropanoate
CID 175702782
1-heptacontoxyethanol
CID 169098461

Frequently Asked Questions

What is the IUPAC name of [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane?
The IUPAC name of [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane (CID 173079384) is [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane.
What is the SMILES notation for [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane?
The canonical SMILES for [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane is CCCCCCCCCCCCOSC([SiH3])(SOCCCCCCCCCCCC)C(C)OCC.
What is the InChIKey of [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane?
The InChIKey is OOOLZYUHYHKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O3S2Si/c1-5-8-10-12-14-16-18-20-22-24-26-31-33-29(35,28(4)30-7-3)34-32-27-25-23-21-19-17-15-13-11-9-6-2/h28H,5-27H2,1-4,35H3.
What are the key properties of [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane?
[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane has a molecular weight of 551.03 g/mol, XLogP of 9.60, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane is sourced from PubChem (CID 173079384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).