1-butylcyclodeca-1,2-diene

C14H24 — CID 11310057

IUPAC1-butylcyclodeca-1,2-diene
SMILESCCCCC1=C=CCCCCCCC1
InChIInChI=1S/C14H24/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h9H,2-8,10-11,13H2,1H3
InChIKeyXWACDDNVTUDYPJ-UHFFFAOYSA-N
MW192.35 g/mol
LogP5.00
Rot. Bonds3

About 1-butylcyclodeca-1,2-diene

1-butylcyclodeca-1,2-diene (PubChem CID 11310057) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-butylcyclodeca-1,2-diene.

Molecular Properties

Compound Name1-butylcyclodeca-1,2-diene
PubChem CID11310057
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-butylcyclodeca-1,2-diene
SMILESCCCCC1=C=CCCCCCCC1
InChIInChI=1S/C14H24/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h9H,2-8,10-11,13H2,1H3
InChIKeyXWACDDNVTUDYPJ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butylcyclodeca-1,2-diene?
The IUPAC name of 1-butylcyclodeca-1,2-diene (CID 11310057) is 1-butylcyclodeca-1,2-diene.
What is the SMILES notation for 1-butylcyclodeca-1,2-diene?
The canonical SMILES for 1-butylcyclodeca-1,2-diene is CCCCC1=C=CCCCCCCC1.
What is the InChIKey of 1-butylcyclodeca-1,2-diene?
The InChIKey is XWACDDNVTUDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-11-14-12-9-7-5-4-6-8-10-13-14/h9H,2-8,10-11,13H2,1H3.
What are the key properties of 1-butylcyclodeca-1,2-diene?
1-butylcyclodeca-1,2-diene has a molecular weight of 192.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclodeca-1,2-diene is sourced from PubChem (CID 11310057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).