1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane

C14H32NOPSi2 — CID 12008649

IUPAC1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane
SMILESCCCCP(C#CCOC)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H32NOPSi2/c1-9-10-13-17(14-11-12-16-2)15(18(3,4)5)19(6,7)8/h9-10,12-13H2,1-8H3
InChIKeyGXGTXVFZHGKQQR-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.76
Rot. Bonds7

About 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane

1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane (PubChem CID 12008649) has the molecular formula C14H32NOPSi2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane.

Molecular Properties

Compound Name1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane
PubChem CID12008649
Molecular FormulaC14H32NOPSi2
Molecular Weight317.56 g/mol
Exact Mass317.18
IUPAC Name1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane
SMILESCCCCP(C#CCOC)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H32NOPSi2/c1-9-10-13-17(14-11-12-16-2)15(18(3,4)5)19(6,7)8/h9-10,12-13H2,1-8H3
InChIKeyGXGTXVFZHGKQQR-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[bis(trimethylsilyl)amino]-bromophosphanyl]propane
CID 101211930
N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
CID 3614344
1-methoxyundeca-2,5-diyne
CID 15141027
pentane;tetramethylsilane
CID 173025791
methoxymethane;pentane
CID 87151149
ruthenium;tetrakis(tributylphosphane)
CID 137286049
dibutyl(2-methoxyethyl)phosphane
CID 174673196
1-bromo-4-methoxybut-2-yne
CID 14293557
butyl(dimethoxy)phosphane
CID 14855639
butyl(dipropoxy)phosphane
CID 87672656
butyl-methoxy-propylphosphane
CID 150191747
bis[bis(trimethylsilyl)amino]phosphanylethane
CID 13087712

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane?
The IUPAC name of 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane (CID 12008649) is 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane.
What is the SMILES notation for 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane?
The canonical SMILES for 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane is CCCCP(C#CCOC)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane?
The InChIKey is GXGTXVFZHGKQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NOPSi2/c1-9-10-13-17(14-11-12-16-2)15(18(3,4)5)19(6,7)8/h9-10,12-13H2,1-8H3.
What are the key properties of 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane?
1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane has a molecular weight of 317.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(trimethylsilyl)amino]-(3-methoxyprop-1-ynyl)phosphanyl]butane is sourced from PubChem (CID 12008649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).