carbanide;2,2-diheptoxypropan-1-ol;yttrium

C18H39O3Y- — CID 58517147

IUPACcarbanide;2,2-diheptoxypropan-1-ol;yttrium
SMILESCCCCCCCOC(C)(CO)OCCCCCCC.[CH3-].[Y]
InChIInChI=1S/C17H36O3.CH3.Y/c1-4-6-8-10-12-14-19-17(3,16-18)20-15-13-11-9-7-5-2;;/h18H,4-16H2,1-3H3;1H3;/q;-1;
InChIKeyXLUPVYOCSRXXEO-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.12
Rot. Bonds15

About carbanide;2,2-diheptoxypropan-1-ol;yttrium

carbanide;2,2-diheptoxypropan-1-ol;yttrium (PubChem CID 58517147) has the molecular formula C18H39O3Y- and a molecular weight of 392.41 g/mol. Its IUPAC name is carbanide;2,2-diheptoxypropan-1-ol;yttrium.

Molecular Properties

Compound Namecarbanide;2,2-diheptoxypropan-1-ol;yttrium
PubChem CID58517147
Molecular FormulaC18H39O3Y-
Molecular Weight392.41 g/mol
Exact Mass392.20
IUPAC Namecarbanide;2,2-diheptoxypropan-1-ol;yttrium
SMILESCCCCCCCOC(C)(CO)OCCCCCCC.[CH3-].[Y]
InChIInChI=1S/C17H36O3.CH3.Y/c1-4-6-8-10-12-14-19-17(3,16-18)20-15-13-11-9-7-5-2;;/h18H,4-16H2,1-3H3;1H3;/q;-1;
InChIKeyXLUPVYOCSRXXEO-UHFFFAOYSA-N
XLogP5.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
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'}

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Related Compounds

2,2-dibutoxypropan-1-ol
CID 145497919
2-hexoxypropane-1,2-diol
CID 87299743
2-decoxy-2-methylbutan-1-ol
CID 152517276
azane;2-dodecoxypropan-2-ol
CID 87960511
2,2-dihexoxypropyl hydrogen sulfate
CID 46945114
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
hafnium;2,2,2-tributoxyethanol
CID 175773541
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
2,2-diethoxy-2-pentoxyethanol
CID 174807386
1-(2-heptoxy-1-sulfosulfonyloxypropan-2-yl)oxyheptane
CID 88849128
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564

Frequently Asked Questions

What is the IUPAC name of carbanide;2,2-diheptoxypropan-1-ol;yttrium?
The IUPAC name of carbanide;2,2-diheptoxypropan-1-ol;yttrium (CID 58517147) is carbanide;2,2-diheptoxypropan-1-ol;yttrium.
What is the SMILES notation for carbanide;2,2-diheptoxypropan-1-ol;yttrium?
The canonical SMILES for carbanide;2,2-diheptoxypropan-1-ol;yttrium is CCCCCCCOC(C)(CO)OCCCCCCC.[CH3-].[Y].
What is the InChIKey of carbanide;2,2-diheptoxypropan-1-ol;yttrium?
The InChIKey is XLUPVYOCSRXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3.CH3.Y/c1-4-6-8-10-12-14-19-17(3,16-18)20-15-13-11-9-7-5-2;;/h18H,4-16H2,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;2,2-diheptoxypropan-1-ol;yttrium?
carbanide;2,2-diheptoxypropan-1-ol;yttrium has a molecular weight of 392.41 g/mol, XLogP of 5.12, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,2-diheptoxypropan-1-ol;yttrium is sourced from PubChem (CID 58517147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).