(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene

C14H20 — CID 12536960

IUPAC(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene
SMILESC1=C(/C2CC2)CC/C=C(/C2CC2)CC/1
InChIInChI=1S/C14H20/c1-3-11(13-7-8-13)5-2-6-12(4-1)14-9-10-14/h3,6,13-14H,1-2,4-5,7-10H2/b11-3+,12-6+
InChIKeyAOUNKGXHEXKEOO-GTWRXNFRSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds2

About (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene

(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene (PubChem CID 12536960) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene
PubChem CID12536960
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene
SMILESC1=C(/C2CC2)CC/C=C(/C2CC2)CC/1
InChIInChI=1S/C14H20/c1-3-11(13-7-8-13)5-2-6-12(4-1)14-9-10-14/h3,6,13-14H,1-2,4-5,7-10H2/b11-3+,12-6+
InChIKeyAOUNKGXHEXKEOO-GTWRXNFRSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-(6,10-dimethylundeca-1,5,9-trien-2-yl)cyclopropane
CID 131749437
Cyclopropane, 1,1',1''-(1-ethenyl-2-ylidene)tris-
CID 141044
1,2,2-Tricyclopropylethenylcyclopropane
CID 11286934
(1Z)-bicyclo[10.1.0]tridec-1-ene
CID 22213845
Bicyclo(10.1.0)tridec-1-ene
CID 548879
Dicyclopropylmethylidenecyclopropane
CID 640658
3-Ethylheptylidenecyclopropane
CID 90795599
Cyclopropylcyclopropene
CID 90803956
6-Methylhepta-1,5-dien-2-ylcyclopropane
CID 123347072
1-Cyclopropyl-1,5-cyclooctadiene
CID 12536961
1-Cyclopropyl-5-methyl-1,5-cyclooctadiene
CID 12536962
1,1'-(Buta-1,3-diene-1,1-diyl)dicyclopropane
CID 12578306

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene?
The IUPAC name of (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene (CID 12536960) is (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene.
What is the SMILES notation for (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene?
The canonical SMILES for (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene is C1=C(/C2CC2)CC/C=C(/C2CC2)CC/1.
What is the InChIKey of (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene?
The InChIKey is AOUNKGXHEXKEOO-GTWRXNFRSA-N. The full InChI is InChI=1S/C14H20/c1-3-11(13-7-8-13)5-2-6-12(4-1)14-9-10-14/h3,6,13-14H,1-2,4-5,7-10H2/b11-3+,12-6+.
What are the key properties of (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene?
(1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,5-dicyclopropylcycloocta-1,5-diene is sourced from PubChem (CID 12536960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).