methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate

C19H35NO2 — CID 58307949

IUPACmethyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate
SMILESC=CCCCCCC(CCCCCC=C)(C(=O)OC)N(C)C
InChIInChI=1S/C19H35NO2/c1-6-8-10-12-14-16-19(20(3)4,18(21)22-5)17-15-13-11-9-7-2/h6-7H,1-2,8-17H2,3-5H3
InChIKeyUTHCPLQJSPCTQM-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.73
Rot. Bonds14

About methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate

methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate (PubChem CID 58307949) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate
PubChem CID58307949
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Namemethyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate
SMILESC=CCCCCCC(CCCCCC=C)(C(=O)OC)N(C)C
InChIInChI=1S/C19H35NO2/c1-6-8-10-12-14-16-19(20(3)4,18(21)22-5)17-15-13-11-9-7-2/h6-7H,1-2,8-17H2,3-5H3
InChIKeyUTHCPLQJSPCTQM-UHFFFAOYSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate?
The IUPAC name of methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate (CID 58307949) is methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate?
The canonical SMILES for methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate is C=CCCCCCC(CCCCCC=C)(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate?
The InChIKey is UTHCPLQJSPCTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-6-8-10-12-14-16-19(20(3)4,18(21)22-5)17-15-13-11-9-7-2/h6-7H,1-2,8-17H2,3-5H3.
What are the key properties of methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate?
methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate has a molecular weight of 309.49 g/mol, XLogP of 4.73, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate is sourced from PubChem (CID 58307949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).