2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium

C14H24O3Y-2 — CID 59118732

IUPAC2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium
SMILESC=C([CH2-])C.[H]/[C-]=C(/C)COCOC1CCCCO1.[Y]
InChIInChI=1S/C10H17O3.C4H7.Y/c1-9(2)7-11-8-13-10-5-3-4-6-12-10;1-4(2)3;/h1,10H,3-8H2,2H3;1-2H2,3H3;/q2*-1;
InChIKeyMTROKOPYPXUJHY-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.28
Rot. Bonds5

About 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium

2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium (PubChem CID 59118732) has the molecular formula C14H24O3Y-2 and a molecular weight of 329.25 g/mol. Its IUPAC name is 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium.

Molecular Properties

Compound Name2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium
PubChem CID59118732
Molecular FormulaC14H24O3Y-2
Molecular Weight329.25 g/mol
Exact Mass329.08
IUPAC Name2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium
SMILESC=C([CH2-])C.[H]/[C-]=C(/C)COCOC1CCCCO1.[Y]
InChIInChI=1S/C10H17O3.C4H7.Y/c1-9(2)7-11-8-13-10-5-3-4-6-12-10;1-4(2)3;/h1,10H,3-8H2,2H3;1-2H2,3H3;/q2*-1;
InChIKeyMTROKOPYPXUJHY-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium?
The IUPAC name of 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium (CID 59118732) is 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium.
What is the SMILES notation for 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium?
The canonical SMILES for 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium is C=C([CH2-])C.[H]/[C-]=C(/C)COCOC1CCCCO1.[Y].
What is the InChIKey of 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium?
The InChIKey is MTROKOPYPXUJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3.C4H7.Y/c1-9(2)7-11-8-13-10-5-3-4-6-12-10;1-4(2)3;/h1,10H,3-8H2,2H3;1-2H2,3H3;/q2*-1;.
What are the key properties of 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium?
2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium has a molecular weight of 329.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene;2-(2-methylprop-2-enoxymethoxy)oxane;yttrium is sourced from PubChem (CID 59118732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).