methyl 2-methylidene-3-phenyldecanoate

C18H26O2 — CID 54497429

IUPACmethyl 2-methylidene-3-phenyldecanoate
SMILESC=C(C(=O)OC)C(CCCCCCC)c1ccccc1
InChIInChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(15(2)18(19)20-3)16-12-9-8-10-13-16/h8-10,12-13,17H,2,4-7,11,14H2,1,3H3
InChIKeyCBEHZUMIQCZJPD-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.86
Rot. Bonds9

About methyl 2-methylidene-3-phenyldecanoate

methyl 2-methylidene-3-phenyldecanoate (PubChem CID 54497429) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 2-methylidene-3-phenyldecanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-3-phenyldecanoate
PubChem CID54497429
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namemethyl 2-methylidene-3-phenyldecanoate
SMILESC=C(C(=O)OC)C(CCCCCCC)c1ccccc1
InChIInChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(15(2)18(19)20-3)16-12-9-8-10-13-16/h8-10,12-13,17H,2,4-7,11,14H2,1,3H3
InChIKeyCBEHZUMIQCZJPD-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenylheptanoate
CID 143443478
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
methyl 12-hydroxy-2-phenyloctadecanoate
CID 139643446
2-phenyloctadecanoate
CID 22742145
2-phenyloctadecanoyl chloride
CID 154195260
propan-2-yl 2-phenylheptanoate
CID 11075819
butyl 2-phenyltetradecanoate
CID 70564720
2-phenylheptanamide
CID 67221214
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
methyl 2-benzhydrylprop-2-enoate
CID 67016942
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-3-phenyldecanoate?
The IUPAC name of methyl 2-methylidene-3-phenyldecanoate (CID 54497429) is methyl 2-methylidene-3-phenyldecanoate.
What is the SMILES notation for methyl 2-methylidene-3-phenyldecanoate?
The canonical SMILES for methyl 2-methylidene-3-phenyldecanoate is C=C(C(=O)OC)C(CCCCCCC)c1ccccc1.
What is the InChIKey of methyl 2-methylidene-3-phenyldecanoate?
The InChIKey is CBEHZUMIQCZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(15(2)18(19)20-3)16-12-9-8-10-13-16/h8-10,12-13,17H,2,4-7,11,14H2,1,3H3.
What are the key properties of methyl 2-methylidene-3-phenyldecanoate?
methyl 2-methylidene-3-phenyldecanoate has a molecular weight of 274.40 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-3-phenyldecanoate is sourced from PubChem (CID 54497429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).