(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal

C15H22O — CID 5281535

IUPAC(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
InChIKeyNOPLRNXKHZRXHT-YFVJMOTDSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds8

About (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal

(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal (PubChem CID 5281535) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
PubChem CID5281535
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
InChIKeyNOPLRNXKHZRXHT-YFVJMOTDSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-trienal?
The IUPAC name of (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal (CID 5281535) is (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal.
What is the SMILES notation for (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal?
The canonical SMILES for (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal is C=CC(=C)CC/C=C(\C)CC/C=C(\C)C=O.
What is the InChIKey of (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal?
The InChIKey is NOPLRNXKHZRXHT-YFVJMOTDSA-N. The full InChI is InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+.
What are the key properties of (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal?
(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal has a molecular weight of 218.34 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal is sourced from PubChem (CID 5281535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).