methyl (Z)-undec-5-enoate

C12H22O2 — CID 11469683

IUPACmethyl (Z)-undec-5-enoate
SMILESCCCCC/C=C\CCCC(=O)OC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h7-8H,3-6,9-11H2,1-2H3/b8-7-
InChIKeyVDDLADIPQFIPEC-FPLPWBNLSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About methyl (Z)-undec-5-enoate

methyl (Z)-undec-5-enoate (PubChem CID 11469683) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl (Z)-undec-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-undec-5-enoate
PubChem CID11469683
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl (Z)-undec-5-enoate
SMILESCCCCC/C=C\CCCC(=O)OC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h7-8H,3-6,9-11H2,1-2H3/b8-7-
InChIKeyVDDLADIPQFIPEC-FPLPWBNLSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
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

methyl dodec-5-enoate
CID 86010951
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
methyl dec-5-enoate
CID 54534253
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-undec-5-enoate?
The IUPAC name of methyl (Z)-undec-5-enoate (CID 11469683) is methyl (Z)-undec-5-enoate.
What is the SMILES notation for methyl (Z)-undec-5-enoate?
The canonical SMILES for methyl (Z)-undec-5-enoate is CCCCC/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (Z)-undec-5-enoate?
The InChIKey is VDDLADIPQFIPEC-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h7-8H,3-6,9-11H2,1-2H3/b8-7-.
What are the key properties of methyl (Z)-undec-5-enoate?
methyl (Z)-undec-5-enoate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-undec-5-enoate is sourced from PubChem (CID 11469683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).