2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane

C31H64O4Si2 — CID 140504035

IUPAC2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane
SMILESCCCCC(CCCCC1(CCCC)CCCC[Si]1(OC)OC)C1(CCCC)CCCC[Si]1(OC)OC
InChIInChI=1S/C31H64O4Si2/c1-8-11-20-29(31(25-13-10-3)26-17-19-28-37(31,34-6)35-7)21-14-15-23-30(22-12-9-2)24-16-18-27-36(30,32-4)33-5/h29H,8-28H2,1-7H3
InChIKeyYWMWVVQZFMQCIF-UHFFFAOYSA-N
MW557.02 g/mol
LogP10.05
Rot. Bonds19

About 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane

2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane (PubChem CID 140504035) has the molecular formula C31H64O4Si2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane.

Molecular Properties

Compound Name2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane
PubChem CID140504035
Molecular FormulaC31H64O4Si2
Molecular Weight557.02 g/mol
Exact Mass556.43
IUPAC Name2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane
SMILESCCCCC(CCCCC1(CCCC)CCCC[Si]1(OC)OC)C1(CCCC)CCCC[Si]1(OC)OC
InChIInChI=1S/C31H64O4Si2/c1-8-11-20-29(31(25-13-10-3)26-17-19-28-37(31,34-6)35-7)21-14-15-23-30(22-12-9-2)24-16-18-27-36(30,32-4)33-5/h29H,8-28H2,1-7H3
InChIKeyYWMWVVQZFMQCIF-UHFFFAOYSA-N
XLogP10.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 510.05
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'}

Analyze 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane with MolForge

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Related Compounds

N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
4-(1,1,2-triethylsilinan-2-yl)butanenitrile
CID 174880096
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane?
The IUPAC name of 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane (CID 140504035) is 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane.
What is the SMILES notation for 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane?
The canonical SMILES for 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane is CCCCC(CCCCC1(CCCC)CCCC[Si]1(OC)OC)C1(CCCC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane?
The InChIKey is YWMWVVQZFMQCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O4Si2/c1-8-11-20-29(31(25-13-10-3)26-17-19-28-37(31,34-6)35-7)21-14-15-23-30(22-12-9-2)24-16-18-27-36(30,32-4)33-5/h29H,8-28H2,1-7H3.
What are the key properties of 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane?
2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane has a molecular weight of 557.02 g/mol, XLogP of 10.05, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane is sourced from PubChem (CID 140504035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).