(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene

C12H22 — CID 5463033

IUPAC(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
SMILESC=C(/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(12(5,6)7)8-9-11(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyOYAQFAPAKGNWSQ-CMDGGOBGSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds1

About (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene

(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene (PubChem CID 5463033) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene.

Molecular Properties

Compound Name(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
PubChem CID5463033
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
SMILESC=C(/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(12(5,6)7)8-9-11(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyOYAQFAPAKGNWSQ-CMDGGOBGSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene?
The IUPAC name of (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene (CID 5463033) is (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene.
What is the SMILES notation for (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene?
The canonical SMILES for (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene is C=C(/C=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene?
The InChIKey is OYAQFAPAKGNWSQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22/c1-10(12(5,6)7)8-9-11(2,3)4/h8-9H,1H2,2-7H3/b9-8+.
What are the key properties of (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene?
(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene is sourced from PubChem (CID 5463033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).