methyl 2-dec-9-enyldodec-11-enoate

C23H42O2 — CID 102509342

IUPACmethyl 2-dec-9-enyldodec-11-enoate
SMILESC=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OC
InChIInChI=1S/C23H42O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h4-5,22H,1-2,6-21H2,3H3
InChIKeyLCLXTKSFFRGDPE-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.39
Rot. Bonds19

About methyl 2-dec-9-enyldodec-11-enoate

methyl 2-dec-9-enyldodec-11-enoate (PubChem CID 102509342) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is methyl 2-dec-9-enyldodec-11-enoate.

Molecular Properties

Compound Namemethyl 2-dec-9-enyldodec-11-enoate
PubChem CID102509342
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Namemethyl 2-dec-9-enyldodec-11-enoate
SMILESC=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OC
InChIInChI=1S/C23H42O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h4-5,22H,1-2,6-21H2,3H3
InChIKeyLCLXTKSFFRGDPE-UHFFFAOYSA-N
XLogP7.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.39
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-dec-9-enyldodec-11-enoate?
The IUPAC name of methyl 2-dec-9-enyldodec-11-enoate (CID 102509342) is methyl 2-dec-9-enyldodec-11-enoate.
What is the SMILES notation for methyl 2-dec-9-enyldodec-11-enoate?
The canonical SMILES for methyl 2-dec-9-enyldodec-11-enoate is C=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OC.
What is the InChIKey of methyl 2-dec-9-enyldodec-11-enoate?
The InChIKey is LCLXTKSFFRGDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h4-5,22H,1-2,6-21H2,3H3.
What are the key properties of methyl 2-dec-9-enyldodec-11-enoate?
methyl 2-dec-9-enyldodec-11-enoate has a molecular weight of 350.59 g/mol, XLogP of 7.39, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dec-9-enyldodec-11-enoate is sourced from PubChem (CID 102509342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).