methyl dec-5-enoate

C11H20O2 — CID 54534253

IUPACmethyl dec-5-enoate
SMILESCCCCC=CCCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyYYRDDAPQDPABPZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About methyl dec-5-enoate

methyl dec-5-enoate (PubChem CID 54534253) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl dec-5-enoate.

Molecular Properties

Compound Namemethyl dec-5-enoate
PubChem CID54534253
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl dec-5-enoate
SMILESCCCCC=CCCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyYYRDDAPQDPABPZ-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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 (Z)-undec-5-enoate
CID 11469683
methyl dodec-5-enoate
CID 86010951
methyl (E)-hexadec-11-enoate
CID 5364696
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 (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172

Frequently Asked Questions

What is the IUPAC name of methyl dec-5-enoate?
The IUPAC name of methyl dec-5-enoate (CID 54534253) is methyl dec-5-enoate.
What is the SMILES notation for methyl dec-5-enoate?
The canonical SMILES for methyl dec-5-enoate is CCCCC=CCCCC(=O)OC.
What is the InChIKey of methyl dec-5-enoate?
The InChIKey is YYRDDAPQDPABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of methyl dec-5-enoate?
methyl dec-5-enoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dec-5-enoate is sourced from PubChem (CID 54534253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).