carbanide;3-methylhexadecane;yttrium

C18H38Y-2 — CID 58340668

IUPACcarbanide;3-methylhexadecane;yttrium
SMILESC[CH-]CCCCCCCCCCCC(C)CC.[CH3-].[Y]
InChIInChI=1S/C17H35.CH3.Y/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;;/h4,17H,5-16H2,1-3H3;1H3;/q2*-1;
InChIKeyZBADXSSICGFVOX-UHFFFAOYSA-N
MW343.41 g/mol
LogP7.00
Rot. Bonds13

About carbanide;3-methylhexadecane;yttrium

carbanide;3-methylhexadecane;yttrium (PubChem CID 58340668) has the molecular formula C18H38Y-2 and a molecular weight of 343.41 g/mol. Its IUPAC name is carbanide;3-methylhexadecane;yttrium.

Molecular Properties

Compound Namecarbanide;3-methylhexadecane;yttrium
PubChem CID58340668
Molecular FormulaC18H38Y-2
Molecular Weight343.41 g/mol
Exact Mass343.20
IUPAC Namecarbanide;3-methylhexadecane;yttrium
SMILESC[CH-]CCCCCCCCCCCC(C)CC.[CH3-].[Y]
InChIInChI=1S/C17H35.CH3.Y/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;;/h4,17H,5-16H2,1-3H3;1H3;/q2*-1;
InChIKeyZBADXSSICGFVOX-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;3,5-dimethyldodecane;yttrium
CID 58340734
carbanide;3,11-dimethyltetradecane;yttrium
CID 58340688
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,13,19-trimethylheptatriacontane
CID 172565400
3-ethyl-10-methyldodecane
CID 54169175
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylhexadecane;yttrium?
The IUPAC name of carbanide;3-methylhexadecane;yttrium (CID 58340668) is carbanide;3-methylhexadecane;yttrium.
What is the SMILES notation for carbanide;3-methylhexadecane;yttrium?
The canonical SMILES for carbanide;3-methylhexadecane;yttrium is C[CH-]CCCCCCCCCCCC(C)CC.[CH3-].[Y].
What is the InChIKey of carbanide;3-methylhexadecane;yttrium?
The InChIKey is ZBADXSSICGFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35.CH3.Y/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;;/h4,17H,5-16H2,1-3H3;1H3;/q2*-1;.
What are the key properties of carbanide;3-methylhexadecane;yttrium?
carbanide;3-methylhexadecane;yttrium has a molecular weight of 343.41 g/mol, XLogP of 7.00, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylhexadecane;yttrium is sourced from PubChem (CID 58340668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).