[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate

C16H24O2 — CID 88702347

IUPAC[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)COC=O
InChIInChI=1S/C16H24O2/c1-5-14(2)8-6-9-15(3)10-7-11-16(4)12-18-13-17/h5,9,11,13H,1-2,6-8,10,12H2,3-4H3/b15-9+,16-11+
InChIKeyMYUFBJKUKFVCAP-XGGJEREUSA-N
MW248.37 g/mol
LogP4.35
Rot. Bonds10

About [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate

[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate (PubChem CID 88702347) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate.

Molecular Properties

Compound Name[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate
PubChem CID88702347
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)COC=O
InChIInChI=1S/C16H24O2/c1-5-14(2)8-6-9-15(3)10-7-11-16(4)12-18-13-17/h5,9,11,13H,1-2,6-8,10,12H2,3-4H3/b15-9+,16-11+
InChIKeyMYUFBJKUKFVCAP-XGGJEREUSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate?
The IUPAC name of [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate (CID 88702347) is [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate.
What is the SMILES notation for [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate?
The canonical SMILES for [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate is C=CC(=C)CC/C=C(\C)CC/C=C(\C)COC=O.
What is the InChIKey of [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate?
The InChIKey is MYUFBJKUKFVCAP-XGGJEREUSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-14(2)8-6-9-15(3)10-7-11-16(4)12-18-13-17/h5,9,11,13H,1-2,6-8,10,12H2,3-4H3/b15-9+,16-11+.
What are the key properties of [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate?
[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate has a molecular weight of 248.37 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienyl] formate is sourced from PubChem (CID 88702347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).