methyl 2-ethenyl-5-methylhept-6-enoate

C11H18O2 — CID 14062849

IUPACmethyl 2-ethenyl-5-methylhept-6-enoate
SMILESC=CC(C)CCC(C=C)C(=O)OC
InChIInChI=1S/C11H18O2/c1-5-9(3)7-8-10(6-2)11(12)13-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyGLQQROWZFXGHCO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.56
Rot. Bonds6

About methyl 2-ethenyl-5-methylhept-6-enoate

methyl 2-ethenyl-5-methylhept-6-enoate (PubChem CID 14062849) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-ethenyl-5-methylhept-6-enoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-5-methylhept-6-enoate
PubChem CID14062849
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-ethenyl-5-methylhept-6-enoate
SMILESC=CC(C)CCC(C=C)C(=O)OC
InChIInChI=1S/C11H18O2/c1-5-9(3)7-8-10(6-2)11(12)13-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyGLQQROWZFXGHCO-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexyl 2-methyl-4-pentenoate
CID 57351134
Methyl cyclohex-2-ene-1-carboxylate
CID 11007985
2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
Methyl (E)-8-methylnon-6-enoate
CID 6442809
Methyl (Z)-8-methylnon-6-enoate
CID 6442805
methyl (2R)-2,7-dimethyloct-6-enoate
CID 163009702
Dimethyl 2-pent-4-enylpropanedioate
CID 13356533
Butyloxolon
CID 14322423
Ethyl 2-ethenyl-2-fluorohexanoate
CID 71480630
2-Ethenylhexyl acetate
CID 12794025
Methyl 2,4,5-trimethylhex-5-enoate
CID 134916431
Methyl 8-methylnon-6-enoate
CID 183444

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-5-methylhept-6-enoate?
The IUPAC name of methyl 2-ethenyl-5-methylhept-6-enoate (CID 14062849) is methyl 2-ethenyl-5-methylhept-6-enoate.
What is the SMILES notation for methyl 2-ethenyl-5-methylhept-6-enoate?
The canonical SMILES for methyl 2-ethenyl-5-methylhept-6-enoate is C=CC(C)CCC(C=C)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-5-methylhept-6-enoate?
The InChIKey is GLQQROWZFXGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9(3)7-8-10(6-2)11(12)13-4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of methyl 2-ethenyl-5-methylhept-6-enoate?
methyl 2-ethenyl-5-methylhept-6-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-5-methylhept-6-enoate is sourced from PubChem (CID 14062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).