benzene;ethane;(3Z)-hexa-1,3-diene

C14H22 — CID 145406592

IUPACbenzene;ethane;(3Z)-hexa-1,3-diene
SMILESC=C/C=C\CC.CC.c1ccccc1
InChIInChI=1S/C6H6.C6H10.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3,5-6H,1,4H2,2H3;1-2H3/b;6-5-;
InChIKeyOJFVPLJRFSMDCJ-XRPAZMCKSA-N
MW190.33 g/mol
LogP4.85
Rot. Bonds2

About benzene;ethane;(3Z)-hexa-1,3-diene

benzene;ethane;(3Z)-hexa-1,3-diene (PubChem CID 145406592) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is benzene;ethane;(3Z)-hexa-1,3-diene.

Molecular Properties

Compound Namebenzene;ethane;(3Z)-hexa-1,3-diene
PubChem CID145406592
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Namebenzene;ethane;(3Z)-hexa-1,3-diene
SMILESC=C/C=C\CC.CC.c1ccccc1
InChIInChI=1S/C6H6.C6H10.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3,5-6H,1,4H2,2H3;1-2H3/b;6-5-;
InChIKeyOJFVPLJRFSMDCJ-XRPAZMCKSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;ethane;(3Z)-hexa-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

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;(3Z)-hexa-1,3-diene?
The IUPAC name of benzene;ethane;(3Z)-hexa-1,3-diene (CID 145406592) is benzene;ethane;(3Z)-hexa-1,3-diene.
What is the SMILES notation for benzene;ethane;(3Z)-hexa-1,3-diene?
The canonical SMILES for benzene;ethane;(3Z)-hexa-1,3-diene is C=C/C=C\CC.CC.c1ccccc1.
What is the InChIKey of benzene;ethane;(3Z)-hexa-1,3-diene?
The InChIKey is OJFVPLJRFSMDCJ-XRPAZMCKSA-N. The full InChI is InChI=1S/C6H6.C6H10.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3,5-6H,1,4H2,2H3;1-2H3/b;6-5-;.
What are the key properties of benzene;ethane;(3Z)-hexa-1,3-diene?
benzene;ethane;(3Z)-hexa-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;(3Z)-hexa-1,3-diene is sourced from PubChem (CID 145406592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).