(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine

C22H52N2O4Si2 — CID 10528134

IUPAC(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine
SMILESCC(C)[C@@H](N)[C@H](OCOCC[Si](C)(C)C)[C@@H](OCOCC[Si](C)(C)C)[C@H](N)C(C)C
InChIInChI=1S/C22H52N2O4Si2/c1-17(2)19(23)21(27-15-25-11-13-29(5,6)7)22(20(24)18(3)4)28-16-26-12-14-30(8,9)10/h17-22H,11-16,23-24H2,1-10H3/t19-,20-,21+,22+/m1/s1
InChIKeyNMPUIVVBYMJTDV-CZYKHXBRSA-N
MW464.84 g/mol
LogP4.35
Rot. Bonds17

About (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine

(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine (PubChem CID 10528134) has the molecular formula C22H52N2O4Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine
PubChem CID10528134
Molecular FormulaC22H52N2O4Si2
Molecular Weight464.84 g/mol
Exact Mass464.35
IUPAC Name(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine
SMILESCC(C)[C@@H](N)[C@H](OCOCC[Si](C)(C)C)[C@@H](OCOCC[Si](C)(C)C)[C@H](N)C(C)C
InChIInChI=1S/C22H52N2O4Si2/c1-17(2)19(23)21(27-15-25-11-13-29(5,6)7)22(20(24)18(3)4)28-16-26-12-14-30(8,9)10/h17-22H,11-16,23-24H2,1-10H3/t19-,20-,21+,22+/m1/s1
InChIKeyNMPUIVVBYMJTDV-CZYKHXBRSA-N
XLogP4.35
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine with MolForge

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Related Compounds

trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
CID 22599556
(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
CID 71336008
trimethyl-[2-[[(E,2S)-5-trichlorostannylpent-3-en-2-yl]oxymethoxy]ethyl]silane
CID 10527061
(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
CID 87972756
2-[[(2R)-3-chloro-2-methylpropoxy]methoxy]ethyl-trimethylsilane
CID 89211143
ethoxyethane;trimethyl-[2-(2-trimethylsilylethoxymethoxymethoxy)ethyl]silane
CID 88546409
methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
CID 102292945
2-(2-trimethylsilylethoxy)ethanamine
CID 158645142
1-(2-trimethylsilylethoxy)propan-2-ol
CID 57045304
trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane
CID 552614

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine?
The IUPAC name of (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine (CID 10528134) is (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine.
What is the SMILES notation for (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine?
The canonical SMILES for (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine is CC(C)[C@@H](N)[C@H](OCOCC[Si](C)(C)C)[C@@H](OCOCC[Si](C)(C)C)[C@H](N)C(C)C.
What is the InChIKey of (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine?
The InChIKey is NMPUIVVBYMJTDV-CZYKHXBRSA-N. The full InChI is InChI=1S/C22H52N2O4Si2/c1-17(2)19(23)21(27-15-25-11-13-29(5,6)7)22(20(24)18(3)4)28-16-26-12-14-30(8,9)10/h17-22H,11-16,23-24H2,1-10H3/t19-,20-,21+,22+/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine?
(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine has a molecular weight of 464.84 g/mol, XLogP of 4.35, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine is sourced from PubChem (CID 10528134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).