2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane

C15H30NO5P — CID 167543361

IUPAC2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane
SMILES[C-]#[N+]CCOP(C)OCCOCCOCCOC[C@H](C)CC
InChIInChI=1S/C15H30NO5P/c1-5-15(2)14-19-11-10-17-8-9-18-12-13-21-22(4)20-7-6-16-3/h15H,5-14H2,1-2,4H3/t15-,22?/m1/s1
InChIKeyJHVKCJDRNQDIAS-JGHKVMFLSA-N
MW335.38 g/mol
LogP2.98
Rot. Bonds16

About 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane

2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane (PubChem CID 167543361) has the molecular formula C15H30NO5P and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane.

Molecular Properties

Compound Name2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane
PubChem CID167543361
Molecular FormulaC15H30NO5P
Molecular Weight335.38 g/mol
Exact Mass335.19
IUPAC Name2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane
SMILES[C-]#[N+]CCOP(C)OCCOCCOCCOC[C@H](C)CC
InChIInChI=1S/C15H30NO5P/c1-5-15(2)14-19-11-10-17-8-9-18-12-13-21-22(4)20-7-6-16-3/h15H,5-14H2,1-2,4H3/t15-,22?/m1/s1
InChIKeyJHVKCJDRNQDIAS-JGHKVMFLSA-N
XLogP2.98
TPSA50.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylbutoxy)butane
CID 4584641
chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
CID 163663485
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
1-isocyano-3-methylpentane
CID 71472959
1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 58831476
2-(2-isocyanoethoxy)ethoxy-trimethylsilane
CID 140916140
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
2-methylbutoxymethanethiol
CID 129171178
2-methylbutane-1-tellurol
CID 174450990
CID 87153387
CID 87153387
sodium;methane;2-(2-methylbutoxy)ethyl sulfate
CID 161331951
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191

Frequently Asked Questions

What is the IUPAC name of 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane?
The IUPAC name of 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane (CID 167543361) is 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane.
What is the SMILES notation for 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane?
The canonical SMILES for 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane is [C-]#[N+]CCOP(C)OCCOCCOCCOC[C@H](C)CC.
What is the InChIKey of 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane?
The InChIKey is JHVKCJDRNQDIAS-JGHKVMFLSA-N. The full InChI is InChI=1S/C15H30NO5P/c1-5-15(2)14-19-11-10-17-8-9-18-12-13-21-22(4)20-7-6-16-3/h15H,5-14H2,1-2,4H3/t15-,22?/m1/s1.
What are the key properties of 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane?
2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane has a molecular weight of 335.38 g/mol, XLogP of 2.98, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane is sourced from PubChem (CID 167543361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).