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

C6H9Cl — CID 57257256

IUPAC(4E)-1-chlorohexa-1,4-diene
SMILESC/C=C/CC=CCl
InChIInChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-3,5-6H,4H2,1H3/b3-2+,6-5?
InChIKeyUZOFRXILEOSMQH-QQKWFHSESA-N
MW116.59 g/mol
LogP2.71
Rot. Bonds2

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

(4E)-1-chlorohexa-1,4-diene (PubChem CID 57257256) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is (4E)-1-chlorohexa-1,4-diene.

Molecular Properties

Compound Name(4E)-1-chlorohexa-1,4-diene
PubChem CID57257256
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name(4E)-1-chlorohexa-1,4-diene
SMILESC/C=C/CC=CCl
InChIInChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-3,5-6H,4H2,1H3/b3-2+,6-5?
InChIKeyUZOFRXILEOSMQH-QQKWFHSESA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hepta-2,5-diene;rhodium
CID 159015179
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
hexa-1,4-diene
CID 163631115
magnesium;(2E,5E)-octa-2,5-diene;bromide
CID 15173349
1-aminophosphanylhexa-1,4-diene
CID 57082730
octa-3,6-diene-1-thiol
CID 54552992
1-chloroprop-1-ene;silane
CID 161250071
1-chloroprop-1-ene;sulfane
CID 20975730
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
hexa-1,4-diene;hydrate
CID 162019515
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685

Frequently Asked Questions

What is the IUPAC name of (4E)-1-chlorohexa-1,4-diene?
The IUPAC name of (4E)-1-chlorohexa-1,4-diene (CID 57257256) is (4E)-1-chlorohexa-1,4-diene.
What is the SMILES notation for (4E)-1-chlorohexa-1,4-diene?
The canonical SMILES for (4E)-1-chlorohexa-1,4-diene is C/C=C/CC=CCl.
What is the InChIKey of (4E)-1-chlorohexa-1,4-diene?
The InChIKey is UZOFRXILEOSMQH-QQKWFHSESA-N. The full InChI is InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-3,5-6H,4H2,1H3/b3-2+,6-5?.
What are the key properties of (4E)-1-chlorohexa-1,4-diene?
(4E)-1-chlorohexa-1,4-diene has a molecular weight of 116.59 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-chlorohexa-1,4-diene is sourced from PubChem (CID 57257256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).