2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane

C17H33NO3 — CID 87449679

IUPAC2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane
SMILES[C-]#[N+]C(COC(C)(C)C)(COC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-14(2,3)19-11-17(18-10,12-20-15(4,5)6)13-21-16(7,8)9/h11-13H2,1-9H3
InChIKeyYNMYOCPAWGRPFF-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.09
Rot. Bonds6

About 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane

2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane (PubChem CID 87449679) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane.

Molecular Properties

Compound Name2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane
PubChem CID87449679
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane
SMILES[C-]#[N+]C(COC(C)(C)C)(COC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-14(2,3)19-11-17(18-10,12-20-15(4,5)6)13-21-16(7,8)9/h11-13H2,1-9H3
InChIKeyYNMYOCPAWGRPFF-UHFFFAOYSA-N
XLogP4.09
TPSA32.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 157208820
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
CID 171725386
2-(iodomethoxy)-2-methylpropane
CID 15822129
hexakis(2-isocyano-2-methylpropane);technetium
CID 53463008
CID 90308761
CID 90308761

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane?
The IUPAC name of 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane (CID 87449679) is 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane.
What is the SMILES notation for 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane?
The canonical SMILES for 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane is [C-]#[N+]C(COC(C)(C)C)(COC(C)(C)C)COC(C)(C)C.
What is the InChIKey of 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane?
The InChIKey is YNMYOCPAWGRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2,3)19-11-17(18-10,12-20-15(4,5)6)13-21-16(7,8)9/h11-13H2,1-9H3.
What are the key properties of 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane?
2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane has a molecular weight of 299.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane is sourced from PubChem (CID 87449679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).