5-[(E)-non-1-enyl]cyclopenta-1,3-diene

C14H22 — CID 15399897

IUPAC5-[(E)-non-1-enyl]cyclopenta-1,3-diene
SMILESCCCCCCC/C=C/C1C=CC=C1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h8-14H,2-7H2,1H3/b11-8+
InChIKeyBFFUXRSRVKIVPY-DHZHZOJOSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds7

About 5-[(E)-non-1-enyl]cyclopenta-1,3-diene

5-[(E)-non-1-enyl]cyclopenta-1,3-diene (PubChem CID 15399897) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-[(E)-non-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[(E)-non-1-enyl]cyclopenta-1,3-diene
PubChem CID15399897
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-[(E)-non-1-enyl]cyclopenta-1,3-diene
SMILESCCCCCCC/C=C/C1C=CC=C1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h8-14H,2-7H2,1H3/b11-8+
InChIKeyBFFUXRSRVKIVPY-DHZHZOJOSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[(E)-non-1-enyl]cyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-non-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 5-[(E)-non-1-enyl]cyclopenta-1,3-diene (CID 15399897) is 5-[(E)-non-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[(E)-non-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 5-[(E)-non-1-enyl]cyclopenta-1,3-diene is CCCCCCC/C=C/C1C=CC=C1.
What is the InChIKey of 5-[(E)-non-1-enyl]cyclopenta-1,3-diene?
The InChIKey is BFFUXRSRVKIVPY-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h8-14H,2-7H2,1H3/b11-8+.
What are the key properties of 5-[(E)-non-1-enyl]cyclopenta-1,3-diene?
5-[(E)-non-1-enyl]cyclopenta-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-non-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 15399897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).