methyl (Z)-3,4,7-trimethylnon-3-enoate

C13H24O2 — CID 121441015

IUPACmethyl (Z)-3,4,7-trimethylnon-3-enoate
SMILESCCC(C)CC/C(C)=C(/C)CC(=O)OC
InChIInChI=1S/C13H24O2/c1-6-10(2)7-8-11(3)12(4)9-13(14)15-5/h10H,6-9H2,1-5H3/b12-11-
InChIKeyOUZCCMVYLMRIIS-QXMHVHEDSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds6

About methyl (Z)-3,4,7-trimethylnon-3-enoate

methyl (Z)-3,4,7-trimethylnon-3-enoate (PubChem CID 121441015) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl (Z)-3,4,7-trimethylnon-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3,4,7-trimethylnon-3-enoate
PubChem CID121441015
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl (Z)-3,4,7-trimethylnon-3-enoate
SMILESCCC(C)CC/C(C)=C(/C)CC(=O)OC
InChIInChI=1S/C13H24O2/c1-6-10(2)7-8-11(3)12(4)9-13(14)15-5/h10H,6-9H2,1-5H3/b12-11-
InChIKeyOUZCCMVYLMRIIS-QXMHVHEDSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3,4,7-trimethylnon-3-enoate?
The IUPAC name of methyl (Z)-3,4,7-trimethylnon-3-enoate (CID 121441015) is methyl (Z)-3,4,7-trimethylnon-3-enoate.
What is the SMILES notation for methyl (Z)-3,4,7-trimethylnon-3-enoate?
The canonical SMILES for methyl (Z)-3,4,7-trimethylnon-3-enoate is CCC(C)CC/C(C)=C(/C)CC(=O)OC.
What is the InChIKey of methyl (Z)-3,4,7-trimethylnon-3-enoate?
The InChIKey is OUZCCMVYLMRIIS-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-10(2)7-8-11(3)12(4)9-13(14)15-5/h10H,6-9H2,1-5H3/b12-11-.
What are the key properties of methyl (Z)-3,4,7-trimethylnon-3-enoate?
methyl (Z)-3,4,7-trimethylnon-3-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3,4,7-trimethylnon-3-enoate is sourced from PubChem (CID 121441015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).