ethyl 2,6,8-trimethyl-4-methylideneundecanoate

C17H32O2 — CID 15332456

IUPACethyl 2,6,8-trimethyl-4-methylideneundecanoate
SMILESC=C(CC(C)CC(C)CCC)CC(C)C(=O)OCC
InChIInChI=1S/C17H32O2/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)19-8-2/h13-14,16H,5,7-12H2,1-4,6H3
InChIKeyBALREAMPJQJXJY-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.98
Rot. Bonds10

About ethyl 2,6,8-trimethyl-4-methylideneundecanoate

ethyl 2,6,8-trimethyl-4-methylideneundecanoate (PubChem CID 15332456) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is ethyl 2,6,8-trimethyl-4-methylideneundecanoate.

Molecular Properties

Compound Nameethyl 2,6,8-trimethyl-4-methylideneundecanoate
PubChem CID15332456
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Nameethyl 2,6,8-trimethyl-4-methylideneundecanoate
SMILESC=C(CC(C)CC(C)CCC)CC(C)C(=O)OCC
InChIInChI=1S/C17H32O2/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)19-8-2/h13-14,16H,5,7-12H2,1-4,6H3
InChIKeyBALREAMPJQJXJY-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6,8-trimethyl-4-methylideneundecanoate?
The IUPAC name of ethyl 2,6,8-trimethyl-4-methylideneundecanoate (CID 15332456) is ethyl 2,6,8-trimethyl-4-methylideneundecanoate.
What is the SMILES notation for ethyl 2,6,8-trimethyl-4-methylideneundecanoate?
The canonical SMILES for ethyl 2,6,8-trimethyl-4-methylideneundecanoate is C=C(CC(C)CC(C)CCC)CC(C)C(=O)OCC.
What is the InChIKey of ethyl 2,6,8-trimethyl-4-methylideneundecanoate?
The InChIKey is BALREAMPJQJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)19-8-2/h13-14,16H,5,7-12H2,1-4,6H3.
What are the key properties of ethyl 2,6,8-trimethyl-4-methylideneundecanoate?
ethyl 2,6,8-trimethyl-4-methylideneundecanoate has a molecular weight of 268.44 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6,8-trimethyl-4-methylideneundecanoate is sourced from PubChem (CID 15332456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).