(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene

C14H20 — CID 19911734

IUPAC(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1CC2C=CC1C2.C=CC/C=C/C
InChIInChI=1S/C8H10.C6H10/c1-6-4-7-2-3-8(6)5-7;1-3-5-6-4-2/h2-3,7-8H,1,4-5H2;3-4,6H,1,5H2,2H3/b;6-4+
InChIKeyYEUFKEASSOJPQD-DVXCEAISSA-N
MW188.31 g/mol
LogP4.28
Rot. Bonds2

About (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene

(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 19911734) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene
PubChem CID19911734
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1CC2C=CC1C2.C=CC/C=C/C
InChIInChI=1S/C8H10.C6H10/c1-6-4-7-2-3-8(6)5-7;1-3-5-6-4-2/h2-3,7-8H,1,4-5H2;3-4,6H,1,5H2,2H3/b;6-4+
InChIKeyYEUFKEASSOJPQD-DVXCEAISSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene (CID 19911734) is (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene is C=C1CC2C=CC1C2.C=CC/C=C/C.
What is the InChIKey of (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is YEUFKEASSOJPQD-DVXCEAISSA-N. The full InChI is InChI=1S/C8H10.C6H10/c1-6-4-7-2-3-8(6)5-7;1-3-5-6-4-2/h2-3,7-8H,1,4-5H2;3-4,6H,1,5H2,2H3/b;6-4+.
What are the key properties of (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene?
(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene has a molecular weight of 188.31 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 19911734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).