(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one

C16H29NO — CID 129233475

IUPAC(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
SMILES[H]/N=C(\C)CC(C)C(C)(C/C=C\CC)C(=O)CCC
InChIInChI=1S/C16H29NO/c1-6-8-9-11-16(5,15(18)10-7-2)13(3)12-14(4)17/h8-9,13,17H,6-7,10-12H2,1-5H3/b9-8-,17-14+
InChIKeyLTMYETCBSAWMMC-XRDLSYIISA-N
MW251.41 g/mol
LogP4.78
Rot. Bonds9

About (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one

(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one (PubChem CID 129233475) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one.

Molecular Properties

Compound Name(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
PubChem CID129233475
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
SMILES[H]/N=C(\C)CC(C)C(C)(C/C=C\CC)C(=O)CCC
InChIInChI=1S/C16H29NO/c1-6-8-9-11-16(5,15(18)10-7-2)13(3)12-14(4)17/h8-9,13,17H,6-7,10-12H2,1-5H3/b9-8-,17-14+
InChIKeyLTMYETCBSAWMMC-XRDLSYIISA-N
XLogP4.78
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one?
The IUPAC name of (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one (CID 129233475) is (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one.
What is the SMILES notation for (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one?
The canonical SMILES for (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one is [H]/N=C(\C)CC(C)C(C)(C/C=C\CC)C(=O)CCC.
What is the InChIKey of (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one?
The InChIKey is LTMYETCBSAWMMC-XRDLSYIISA-N. The full InChI is InChI=1S/C16H29NO/c1-6-8-9-11-16(5,15(18)10-7-2)13(3)12-14(4)17/h8-9,13,17H,6-7,10-12H2,1-5H3/b9-8-,17-14+.
What are the key properties of (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one?
(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one has a molecular weight of 251.41 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one is sourced from PubChem (CID 129233475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).