methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate

C20H38O2 — CID 101242201

IUPACmethyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
SMILESCOC(=O)/C(C)=C/CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h15-18H,7-14H2,1-6H3/b19-15+
InChIKeyDLRHHNFSZALWHO-XDJHFCHBSA-N
MW310.52 g/mol
LogP6.15
Rot. Bonds12

About methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate

methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate (PubChem CID 101242201) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
PubChem CID101242201
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Namemethyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
SMILESCOC(=O)/C(C)=C/CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h15-18H,7-14H2,1-6H3/b19-15+
InChIKeyDLRHHNFSZALWHO-XDJHFCHBSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242202
methyl 2-methyl-4-(6-methylheptan-2-ylamino)but-2-enoate
CID 103247233
2,6,10-trimethylundec-2-ene
CID 14805750
ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
CID 21437612
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
methyl (E)-2-methylhept-2-enoate
CID 13122847
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 2-methyl-4-(3-methylbutylsulfanyl)but-2-enoate
CID 107746461
methyl 4,8,12,16-tetramethylheptadec-3-enoate
CID 86672626
methyl 2-methyloct-2-enoate
CID 71403822
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
CID 71372083

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The IUPAC name of methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate (CID 101242201) is methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate.
What is the SMILES notation for methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The canonical SMILES for methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate is COC(=O)/C(C)=C/CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
The InChIKey is DLRHHNFSZALWHO-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H38O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h15-18H,7-14H2,1-6H3/b19-15+.
What are the key properties of methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate?
methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate has a molecular weight of 310.52 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate is sourced from PubChem (CID 101242201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).