(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

C14H16 — CID 158207715

IUPAC(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESC/C=C1\CC2CC1C1=C2C2C=CC1C2
InChIInChI=1S/C14H16/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,9-12H,5-7H2,1H3/b8-2+
InChIKeyKKKYRHWXXJONGH-KRXBUXKQSA-N
MW184.28 g/mol
LogP3.47
Rot. Bonds

About (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (PubChem CID 158207715) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene.

Molecular Properties

Compound Name(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
PubChem CID158207715
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESC/C=C1\CC2CC1C1=C2C2C=CC1C2
InChIInChI=1S/C14H16/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,9-12H,5-7H2,1H3/b8-2+
InChIKeyKKKYRHWXXJONGH-KRXBUXKQSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The IUPAC name of (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (CID 158207715) is (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene.
What is the SMILES notation for (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The canonical SMILES for (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene is C/C=C1\CC2CC1C1=C2C2C=CC1C2.
What is the InChIKey of (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The InChIKey is KKKYRHWXXJONGH-KRXBUXKQSA-N. The full InChI is InChI=1S/C14H16/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,9-12H,5-7H2,1H3/b8-2+.
What are the key properties of (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
(9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene has a molecular weight of 184.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene is sourced from PubChem (CID 158207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).