methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate

C15H27NO2 — CID 10706063

IUPACmethyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate
SMILESC=CC(C)(CCC=C(C)C)C(C(=O)OC)N(C)C
InChIInChI=1S/C15H27NO2/c1-8-15(4,11-9-10-12(2)3)13(16(5)6)14(17)18-7/h8,10,13H,1,9,11H2,2-7H3
InChIKeyQREBMBCMMPXTKK-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.03
Rot. Bonds7

About methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate

methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate (PubChem CID 10706063) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate
PubChem CID10706063
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate
SMILESC=CC(C)(CCC=C(C)C)C(C(=O)OC)N(C)C
InChIInChI=1S/C15H27NO2/c1-8-15(4,11-9-10-12(2)3)13(16(5)6)14(17)18-7/h8,10,13H,1,9,11H2,2-7H3
InChIKeyQREBMBCMMPXTKK-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-2-ethyl-3,7-dimethyloct-6-enoic acid
CID 14910872
3-O-(3,7-dimethylocta-1,6-dien-3-yl) 1-O-methyl propanedioate
CID 564469
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
tris(5-ethenyl-5,9-dimethyldec-8-en-4-yl) borate
CID 88759043
methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate
CID 89487800
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 25021984
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate?
The IUPAC name of methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate (CID 10706063) is methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate?
The canonical SMILES for methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate is C=CC(C)(CCC=C(C)C)C(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate?
The InChIKey is QREBMBCMMPXTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-8-15(4,11-9-10-12(2)3)13(16(5)6)14(17)18-7/h8,10,13H,1,9,11H2,2-7H3.
What are the key properties of methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate?
methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate is sourced from PubChem (CID 10706063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).