methyl 6,10,14-trimethyl-2-methylidenepentadecanoate

C20H38O2 — CID 23286525

IUPACmethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OC
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/h16-18H,5,7-15H2,1-4,6H3
InChIKeyKJPKMOHVOPULPT-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.15
Rot. Bonds13

About methyl 6,10,14-trimethyl-2-methylidenepentadecanoate

methyl 6,10,14-trimethyl-2-methylidenepentadecanoate (PubChem CID 23286525) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is methyl 6,10,14-trimethyl-2-methylidenepentadecanoate.

Molecular Properties

Compound Namemethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
PubChem CID23286525
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Namemethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OC
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/h16-18H,5,7-15H2,1-4,6H3
InChIKeyKJPKMOHVOPULPT-UHFFFAOYSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
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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Frequently Asked Questions

What is the IUPAC name of methyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The IUPAC name of methyl 6,10,14-trimethyl-2-methylidenepentadecanoate (CID 23286525) is methyl 6,10,14-trimethyl-2-methylidenepentadecanoate.
What is the SMILES notation for methyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The canonical SMILES for methyl 6,10,14-trimethyl-2-methylidenepentadecanoate is C=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OC.
What is the InChIKey of methyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The InChIKey is KJPKMOHVOPULPT-UHFFFAOYSA-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/h16-18H,5,7-15H2,1-4,6H3.
What are the key properties of methyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
methyl 6,10,14-trimethyl-2-methylidenepentadecanoate has a molecular weight of 310.52 g/mol, XLogP of 6.15, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,10,14-trimethyl-2-methylidenepentadecanoate is sourced from PubChem (CID 23286525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).