undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate

C19H35NO4 — CID 6423228

IUPACundec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate
SMILESC=CCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-24-18(21)17(15-16(2)3)20-19(22)23-4/h5,16-17H,1,6-15H2,2-4H3,(H,20,22)
InChIKeyDLCJPSLJCOBAOL-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.61
Rot. Bonds14

About undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate

undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate (PubChem CID 6423228) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate
PubChem CID6423228
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nameundec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate
SMILESC=CCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-24-18(21)17(15-16(2)3)20-19(22)23-4/h5,16-17H,1,6-15H2,2-4H3,(H,20,22)
InChIKeyDLCJPSLJCOBAOL-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The IUPAC name of undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate (CID 6423228) is undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate.
What is the SMILES notation for undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The canonical SMILES for undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate is C=CCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC.
What is the InChIKey of undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The InChIKey is DLCJPSLJCOBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-24-18(21)17(15-16(2)3)20-19(22)23-4/h5,16-17H,1,6-15H2,2-4H3,(H,20,22).
What are the key properties of undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate?
undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate has a molecular weight of 341.49 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(methoxycarbonylamino)-4-methylpentanoate is sourced from PubChem (CID 6423228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).