carbanide;3,11-dimethyltetradecane;yttrium

C17H36Y-2 — CID 58340688

IUPACcarbanide;3,11-dimethyltetradecane;yttrium
SMILESC[CH-]CC(C)CCCCCCCC(C)CC.[CH3-].[Y]
InChIInChI=1S/C16H33.CH3.Y/c1-5-12-16(4)14-11-9-7-8-10-13-15(3)6-2;;/h5,15-16H,6-14H2,1-4H3;1H3;/q2*-1;
InChIKeyUIKCJBXQYBXSMS-UHFFFAOYSA-N
MW329.38 g/mol
LogP6.46
Rot. Bonds11

About carbanide;3,11-dimethyltetradecane;yttrium

carbanide;3,11-dimethyltetradecane;yttrium (PubChem CID 58340688) has the molecular formula C17H36Y-2 and a molecular weight of 329.38 g/mol. Its IUPAC name is carbanide;3,11-dimethyltetradecane;yttrium.

Molecular Properties

Compound Namecarbanide;3,11-dimethyltetradecane;yttrium
PubChem CID58340688
Molecular FormulaC17H36Y-2
Molecular Weight329.38 g/mol
Exact Mass329.19
IUPAC Namecarbanide;3,11-dimethyltetradecane;yttrium
SMILESC[CH-]CC(C)CCCCCCCC(C)CC.[CH3-].[Y]
InChIInChI=1S/C16H33.CH3.Y/c1-5-12-16(4)14-11-9-7-8-10-13-15(3)6-2;;/h5,15-16H,6-14H2,1-4H3;1H3;/q2*-1;
InChIKeyUIKCJBXQYBXSMS-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 56.46
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-methylhexadecane;yttrium
CID 58340668
carbanide;3,5-dimethyldodecane;yttrium
CID 58340734
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
azane;3-methylnonane
CID 88699159
3,14-dimethylhexacosane
CID 91515224
3-ethyl-10-methyldodecane
CID 54169175

Frequently Asked Questions

What is the IUPAC name of carbanide;3,11-dimethyltetradecane;yttrium?
The IUPAC name of carbanide;3,11-dimethyltetradecane;yttrium (CID 58340688) is carbanide;3,11-dimethyltetradecane;yttrium.
What is the SMILES notation for carbanide;3,11-dimethyltetradecane;yttrium?
The canonical SMILES for carbanide;3,11-dimethyltetradecane;yttrium is C[CH-]CC(C)CCCCCCCC(C)CC.[CH3-].[Y].
What is the InChIKey of carbanide;3,11-dimethyltetradecane;yttrium?
The InChIKey is UIKCJBXQYBXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.CH3.Y/c1-5-12-16(4)14-11-9-7-8-10-13-15(3)6-2;;/h5,15-16H,6-14H2,1-4H3;1H3;/q2*-1;.
What are the key properties of carbanide;3,11-dimethyltetradecane;yttrium?
carbanide;3,11-dimethyltetradecane;yttrium has a molecular weight of 329.38 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,11-dimethyltetradecane;yttrium is sourced from PubChem (CID 58340688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).