methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate

C15H27NO2 — CID 58307938

IUPACmethyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(CCCC=C)(C(=O)OC)N(C)C
InChIInChI=1S/C15H27NO2/c1-6-8-10-12-15(16(3)4,14(17)18-5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3
InChIKeyUDQMVNBJEDPJEC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds10

About methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate

methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate (PubChem CID 58307938) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate
PubChem CID58307938
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(CCCC=C)(C(=O)OC)N(C)C
InChIInChI=1S/C15H27NO2/c1-6-8-10-12-15(16(3)4,14(17)18-5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3
InChIKeyUDQMVNBJEDPJEC-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
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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Related Compounds

Methyl 2-butyl-2-(dimethylamino)hexanoate
CID 598500
methyl (2S)-2-(dimethylamino)-2-methyloct-7-enoate
CID 58307939
Methyl 2-(dimethylamino)hept-6-enoate
CID 58307942
Methyl 2-(dimethylamino)-2-methylhex-5-enoate
CID 58307944
Methyl 2-(dimethylamino)-2-methyldec-9-enoate
CID 58307945
Methyl 2-(dimethylamino)non-8-enoate
CID 58307946
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
Methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate
CID 58307949
methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate
CID 58307953
methyl (2S)-2-(dimethylamino)-2-methylhex-5-enoate
CID 58307954
methyl (2R)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307955
methyl (2S)-2-(dimethylamino)oct-7-enoate
CID 58307958

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate?
The IUPAC name of methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate (CID 58307938) is methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate?
The canonical SMILES for methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate is C=CCCCC(CCCC=C)(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate?
The InChIKey is UDQMVNBJEDPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-8-10-12-15(16(3)4,14(17)18-5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3.
What are the key properties of methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate?
methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate is sourced from PubChem (CID 58307938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).