methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate

C14H24O2 — CID 89487800

IUPACmethyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate
SMILESC=CC(CC)(CCCC=C(C)C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-6-14(7-2,13(15)16-5)11-9-8-10-12(3)4/h6,10H,1,7-9,11H2,2-5H3
InChIKeyVWWGEWMBVRZMTL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds7

About methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate

methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate (PubChem CID 89487800) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate
PubChem CID89487800
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate
SMILESC=CC(CC)(CCCC=C(C)C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-6-14(7-2,13(15)16-5)11-9-8-10-12(3)4/h6,10H,1,7-9,11H2,2-5H3
InChIKeyVWWGEWMBVRZMTL-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl 2-ethenyl-2-ethylhexanoate
CID 12647087
methyl 2,2-bis(hydroxymethyl)but-3-enoate
CID 171905249
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
3-O-(3,7-dimethylocta-1,6-dien-3-yl) 1-O-methyl propanedioate
CID 564469
dimethyl 2-but-3-enyl-2-(3-methylbut-2-enyl)propanedioate
CID 11149483
methyl 2-(dimethylamino)-3-ethenyl-3,7-dimethyloct-6-enoate
CID 10706063
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
dimethyl 2-[(2E,6E)-8-hydroxy-3,7-dimethylundeca-2,6,10-trienyl]-2-(4-methylpent-3-enyl)propanedioate
CID 122233939
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate?
The IUPAC name of methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate (CID 89487800) is methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate.
What is the SMILES notation for methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate?
The canonical SMILES for methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate is C=CC(CC)(CCCC=C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate?
The InChIKey is VWWGEWMBVRZMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-14(7-2,13(15)16-5)11-9-8-10-12(3)4/h6,10H,1,7-9,11H2,2-5H3.
What are the key properties of methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate?
methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate is sourced from PubChem (CID 89487800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).