(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene

C12H14 — CID 171377918

IUPAC(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene
SMILESC1=C\CCc2cccc(c2)CC/1
InChIInChI=1S/C12H14/c1-2-4-7-12-9-5-8-11(10-12)6-3-1/h1-2,5,8-10H,3-4,6-7H2/b2-1-
InChIKeyLBNLKEHUWUONHA-UPHRSURJSA-N
MW158.24 g/mol
LogP3.12
Rot. Bonds

About (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene

(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene (PubChem CID 171377918) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene.

Molecular Properties

Compound Name(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene
PubChem CID171377918
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene
SMILESC1=C\CCc2cccc(c2)CC/1
InChIInChI=1S/C12H14/c1-2-4-7-12-9-5-8-11(10-12)6-3-1/h1-2,5,8-10H,3-4,6-7H2/b2-1-
InChIKeyLBNLKEHUWUONHA-UPHRSURJSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.12
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)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene?
The IUPAC name of (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene (CID 171377918) is (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene.
What is the SMILES notation for (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene?
The canonical SMILES for (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene is C1=C\CCc2cccc(c2)CC/1.
What is the InChIKey of (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene?
The InChIKey is LBNLKEHUWUONHA-UPHRSURJSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-7-12-9-5-8-11(10-12)6-3-1/h1-2,5,8-10H,3-4,6-7H2/b2-1-.
What are the key properties of (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene?
(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene has a molecular weight of 158.24 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene is sourced from PubChem (CID 171377918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).