methyl (Z)-3-methoxyoct-2-enoate

C10H18O3 — CID 129407763

IUPACmethyl (Z)-3-methoxyoct-2-enoate
SMILESCCCCC/C(=C/C(=O)OC)OC
InChIInChI=1S/C10H18O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyYGFCQTNDJSSZOI-HJWRWDBZSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds6

About methyl (Z)-3-methoxyoct-2-enoate

methyl (Z)-3-methoxyoct-2-enoate (PubChem CID 129407763) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (Z)-3-methoxyoct-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxyoct-2-enoate
PubChem CID129407763
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (Z)-3-methoxyoct-2-enoate
SMILESCCCCC/C(=C/C(=O)OC)OC
InChIInChI=1S/C10H18O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyYGFCQTNDJSSZOI-HJWRWDBZSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-iodooct-2-enoate
CID 6421671
methyl (Z)-3-methyloct-2-enoate
CID 14332772
methyl 3-hydroxyoct-2-enoate
CID 139933241
dimethyl (E)-2-pentylbut-2-enedioate
CID 15877494
methyl 3-iodohept-2-enoate
CID 71346581
methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate
CID 101474321
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
methyl (Z)-4-bromo-3-methoxybut-2-enoate
CID 5374500
2-methoxydec-1-en-3-one
CID 131862503
methyl tetradecanoate
CID 89052795
ethane;methyl hexanoate
CID 159004993
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxyoct-2-enoate?
The IUPAC name of methyl (Z)-3-methoxyoct-2-enoate (CID 129407763) is methyl (Z)-3-methoxyoct-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxyoct-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxyoct-2-enoate is CCCCC/C(=C/C(=O)OC)OC.
What is the InChIKey of methyl (Z)-3-methoxyoct-2-enoate?
The InChIKey is YGFCQTNDJSSZOI-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of methyl (Z)-3-methoxyoct-2-enoate?
methyl (Z)-3-methoxyoct-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxyoct-2-enoate is sourced from PubChem (CID 129407763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).