(1E)-cyclotetradeca-1,4-diene

C14H24 — CID 173030440

IUPAC(1E)-cyclotetradeca-1,4-diene
SMILESC1=CCCCCCCCCC/C=C/C1
InChIInChI=1S/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7H,3-4,6,8-14H2/b2-1+,7-5?
InChIKeyDUPSCKZFPZISAQ-UAKNUOFUSA-N
MW192.35 g/mol
LogP5.01
Rot. Bonds

About (1E)-cyclotetradeca-1,4-diene

(1E)-cyclotetradeca-1,4-diene (PubChem CID 173030440) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (1E)-cyclotetradeca-1,4-diene.

Molecular Properties

Compound Name(1E)-cyclotetradeca-1,4-diene
PubChem CID173030440
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(1E)-cyclotetradeca-1,4-diene
SMILESC1=CCCCCCCCCC/C=C/C1
InChIInChI=1S/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7H,3-4,6,8-14H2/b2-1+,7-5?
InChIKeyDUPSCKZFPZISAQ-UAKNUOFUSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.01
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 (1E)-cyclotetradeca-1,4-diene?
The IUPAC name of (1E)-cyclotetradeca-1,4-diene (CID 173030440) is (1E)-cyclotetradeca-1,4-diene.
What is the SMILES notation for (1E)-cyclotetradeca-1,4-diene?
The canonical SMILES for (1E)-cyclotetradeca-1,4-diene is C1=CCCCCCCCCC/C=C/C1.
What is the InChIKey of (1E)-cyclotetradeca-1,4-diene?
The InChIKey is DUPSCKZFPZISAQ-UAKNUOFUSA-N. The full InChI is InChI=1S/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7H,3-4,6,8-14H2/b2-1+,7-5?.
What are the key properties of (1E)-cyclotetradeca-1,4-diene?
(1E)-cyclotetradeca-1,4-diene has a molecular weight of 192.35 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cyclotetradeca-1,4-diene is sourced from PubChem (CID 173030440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).