cyclohepta-1,3-diene;cyclohexa-1,3-diene

C13H18 — CID 143080725

IUPACcyclohepta-1,3-diene;cyclohexa-1,3-diene
SMILESC1=CCCC=C1.C1=CCCCC=C1
InChIInChI=1S/C7H10.C6H8/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-4H,5-7H2;1-4H,5-6H2
InChIKeyWLNSBJLNUVUNHN-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds

About cyclohepta-1,3-diene;cyclohexa-1,3-diene

cyclohepta-1,3-diene;cyclohexa-1,3-diene (PubChem CID 143080725) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is cyclohepta-1,3-diene;cyclohexa-1,3-diene.

Molecular Properties

Compound Namecyclohepta-1,3-diene;cyclohexa-1,3-diene
PubChem CID143080725
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namecyclohepta-1,3-diene;cyclohexa-1,3-diene
SMILESC1=CCCC=C1.C1=CCCCC=C1
InChIInChI=1S/C7H10.C6H8/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-4H,5-7H2;1-4H,5-6H2
InChIKeyWLNSBJLNUVUNHN-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclohepta-1,3-diene;cyclohexa-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

(1E,7E)-cycloundeca-1,3,7-triene
CID 173030664
(1Z,3E,7E)-cycloundeca-1,3,7-triene
CID 173030528
(1E,3Z,8E,10Z)-cyclotetradeca-1,3,8,10-tetraene
CID 173030963
(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z,19Z)-cyclopentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 173020880
(1Z,3E,5Z)-cyclonona-1,3,5-triene
CID 12652504
(1Z,3E,5E,7Z,9E)-cyclotrideca-1,3,5,7,9-pentaene
CID 143640992
cyclotrideca-1,3,8-triene
CID 90959908
(1E)-cyclotrideca-1,3,8-triene
CID 91284250
(1E,3E)-cycloocta-1,3-diene
CID 6330372
cyclohexa-1,3-diene;nickel(2+)
CID 23341936
(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
CID 173044041
(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
CID 141287920

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3-diene;cyclohexa-1,3-diene?
The IUPAC name of cyclohepta-1,3-diene;cyclohexa-1,3-diene (CID 143080725) is cyclohepta-1,3-diene;cyclohexa-1,3-diene.
What is the SMILES notation for cyclohepta-1,3-diene;cyclohexa-1,3-diene?
The canonical SMILES for cyclohepta-1,3-diene;cyclohexa-1,3-diene is C1=CCCC=C1.C1=CCCCC=C1.
What is the InChIKey of cyclohepta-1,3-diene;cyclohexa-1,3-diene?
The InChIKey is WLNSBJLNUVUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H8/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-4H,5-7H2;1-4H,5-6H2.
What are the key properties of cyclohepta-1,3-diene;cyclohexa-1,3-diene?
cyclohepta-1,3-diene;cyclohexa-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3-diene;cyclohexa-1,3-diene is sourced from PubChem (CID 143080725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).