3-methyl-2-propan-2-yliminohexan-3-ol;scandium

C10H21NOSc — CID 153491828

IUPAC3-methyl-2-propan-2-yliminohexan-3-ol;scandium
SMILESCCCC(C)(O)/C(C)=N/C(C)C.[Sc]
InChIInChI=1S/C10H21NO.Sc/c1-6-7-10(5,12)9(4)11-8(2)3;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyZMRSYBIKIAJRRR-LBEJWNQZSA-N
MW216.24 g/mol
LogP2.40
Rot. Bonds4

About 3-methyl-2-propan-2-yliminohexan-3-ol;scandium

3-methyl-2-propan-2-yliminohexan-3-ol;scandium (PubChem CID 153491828) has the molecular formula C10H21NOSc and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yliminohexan-3-ol;scandium.

Molecular Properties

Compound Name3-methyl-2-propan-2-yliminohexan-3-ol;scandium
PubChem CID153491828
Molecular FormulaC10H21NOSc
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name3-methyl-2-propan-2-yliminohexan-3-ol;scandium
SMILESCCCC(C)(O)/C(C)=N/C(C)C.[Sc]
InChIInChI=1S/C10H21NO.Sc/c1-6-7-10(5,12)9(4)11-8(2)3;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyZMRSYBIKIAJRRR-LBEJWNQZSA-N
XLogP2.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol
CID 153491711
2-ethylimino-3-methylhexan-3-ol;lanthanum
CID 153491627
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
CID 153491631
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;3-methyl-2-methyliminohexan-3-ol;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;3-methyl-2-propan-2-yliminohexan-3-ol;decakis(yttrium)
CID 162008239
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
CID 90330755
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
CID 153491926
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
CID 160728576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yliminohexan-3-ol;scandium?
The IUPAC name of 3-methyl-2-propan-2-yliminohexan-3-ol;scandium (CID 153491828) is 3-methyl-2-propan-2-yliminohexan-3-ol;scandium.
What is the SMILES notation for 3-methyl-2-propan-2-yliminohexan-3-ol;scandium?
The canonical SMILES for 3-methyl-2-propan-2-yliminohexan-3-ol;scandium is CCCC(C)(O)/C(C)=N/C(C)C.[Sc].
What is the InChIKey of 3-methyl-2-propan-2-yliminohexan-3-ol;scandium?
The InChIKey is ZMRSYBIKIAJRRR-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21NO.Sc/c1-6-7-10(5,12)9(4)11-8(2)3;/h8,12H,6-7H2,1-5H3;/b11-9+;.
What are the key properties of 3-methyl-2-propan-2-yliminohexan-3-ol;scandium?
3-methyl-2-propan-2-yliminohexan-3-ol;scandium has a molecular weight of 216.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yliminohexan-3-ol;scandium is sourced from PubChem (CID 153491828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).