2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine

C17H35NO4Si — CID 142737771

IUPAC2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESCO[Si]1(OC)CCCN(CCCOC(C)C)C2CCCCC2O1
InChIInChI=1S/C17H35NO4Si/c1-15(2)21-13-7-11-18-12-8-14-23(19-3,20-4)22-17-10-6-5-9-16(17)18/h15-17H,5-14H2,1-4H3
InChIKeyRVNCDKUHFBWCJT-UHFFFAOYSA-N
MW345.56 g/mol
LogP3.07
Rot. Bonds7

About 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine

2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (PubChem CID 142737771) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.

Molecular Properties

Compound Name2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
PubChem CID142737771
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Name2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
SMILESCO[Si]1(OC)CCCN(CCCOC(C)C)C2CCCCC2O1
InChIInChI=1S/C17H35NO4Si/c1-15(2)21-13-7-11-18-12-8-14-23(19-3,20-4)22-17-10-6-5-9-16(17)18/h15-17H,5-14H2,1-4H3
InChIKeyRVNCDKUHFBWCJT-UHFFFAOYSA-N
XLogP3.07
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.07
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'}

Analyze 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine with MolForge

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Related Compounds

8-ethenyl-6-(2-ethoxyethyl)-2,2-dimethoxy-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine
CID 142737743
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 55090257
methyl 1-(4-propan-2-yloxybutyl)azetidine-2-carboxylate
CID 106003667
4-hydroxy-1-(3-propan-2-yloxypropyl)-3-[1-(3-propan-2-yloxypropyl)pyrrolidin-2-yl]piperidine-4-carboxylic acid
CID 147767067
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
1-(2-propan-2-yloxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681888

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The IUPAC name of 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine (CID 142737771) is 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine.
What is the SMILES notation for 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The canonical SMILES for 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is CO[Si]1(OC)CCCN(CCCOC(C)C)C2CCCCC2O1.
What is the InChIKey of 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
The InChIKey is RVNCDKUHFBWCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-15(2)21-13-7-11-18-12-8-14-23(19-3,20-4)22-17-10-6-5-9-16(17)18/h15-17H,5-14H2,1-4H3.
What are the key properties of 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine?
2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine has a molecular weight of 345.56 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-6-(3-propan-2-yloxypropyl)-4,5,6a,7,8,9,10,10a-octahydro-3H-benzo[g][1,6,2]oxazasilocine is sourced from PubChem (CID 142737771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).