1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole

C15H27NO3Si — CID 174594008

IUPAC1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
SMILESCCCC1(OC)C(n2cccc2)CCC[Si]1(OC)OC
InChIInChI=1S/C15H27NO3Si/c1-5-10-15(17-2)14(16-11-6-7-12-16)9-8-13-20(15,18-3)19-4/h6-7,11-12,14H,5,8-10,13H2,1-4H3
InChIKeyABDMKTSZXFNSIP-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.28
Rot. Bonds6

About 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole

1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole (PubChem CID 174594008) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole.

Molecular Properties

Compound Name1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
PubChem CID174594008
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Name1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
SMILESCCCC1(OC)C(n2cccc2)CCC[Si]1(OC)OC
InChIInChI=1S/C15H27NO3Si/c1-5-10-15(17-2)14(16-11-6-7-12-16)9-8-13-20(15,18-3)19-4/h6-7,11-12,14H,5,8-10,13H2,1-4H3
InChIKeyABDMKTSZXFNSIP-UHFFFAOYSA-N
XLogP3.28
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
CID 174604447
3-(3,5-difluorophenyl)-1,1,2-trimethoxy-2-propylsilinane
CID 174718664
3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
CID 174747798
1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
CID 174751630
3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
CID 174779788
(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
CID 174267912
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
CID 174280958
N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
CID 174750677
3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174818677

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole?
The IUPAC name of 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole (CID 174594008) is 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole.
What is the SMILES notation for 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole?
The canonical SMILES for 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole is CCCC1(OC)C(n2cccc2)CCC[Si]1(OC)OC.
What is the InChIKey of 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole?
The InChIKey is ABDMKTSZXFNSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-5-10-15(17-2)14(16-11-6-7-12-16)9-8-13-20(15,18-3)19-4/h6-7,11-12,14H,5,8-10,13H2,1-4H3.
What are the key properties of 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole?
1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole has a molecular weight of 297.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole is sourced from PubChem (CID 174594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).