(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one

C14H24N2O — CID 169492699

IUPAC(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
SMILESCC[C@H](C)CCCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C14H24N2O/c1-3-12(2)8-6-4-5-7-9-14(17)13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyBSAXEBBKIDPCSE-LBPRGKRZSA-N
MW236.36 g/mol
LogP3.98
Rot. Bonds9

About (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one

(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one (PubChem CID 169492699) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one.

Molecular Properties

Compound Name(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
PubChem CID169492699
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
SMILESCC[C@H](C)CCCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C14H24N2O/c1-3-12(2)8-6-4-5-7-9-14(17)13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyBSAXEBBKIDPCSE-LBPRGKRZSA-N
XLogP3.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-5-yl)octadec-9-en-1-one
CID 54081693
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(18R)-18-methylicosanoic acid
CID 71587706
3-chloro-1-(1H-imidazol-5-yl)propan-1-one
CID 146026723
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
potassium 16-methyloctadecanoate
CID 23706023
8-methyldecanoyl 8-methyldecanoate
CID 175714678
N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 23-methylpentacosanoate
CID 15047975
methyl 11-methyltridecanoate
CID 14122942
1-(2-amino-1H-imidazol-5-yl)-7-methyloctan-1-one
CID 156580782

Frequently Asked Questions

What is the IUPAC name of (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one?
The IUPAC name of (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one (CID 169492699) is (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one.
What is the SMILES notation for (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one?
The canonical SMILES for (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one is CC[C@H](C)CCCCCCC(=O)c1cnc[nH]1.
What is the InChIKey of (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one?
The InChIKey is BSAXEBBKIDPCSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12(2)8-6-4-5-7-9-14(17)13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one?
(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one is sourced from PubChem (CID 169492699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).