(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

1-Chloropent-2-ene
CID 642169
3-Hexene, 1-chloro-, (3Z)-
CID 6436531
2-Pentene, 4-chloro-
CID 5365840
2-Pentene, 5-chloro-, (2E)-
CID 6436376
2-Pentene, 5-chloro-, (Z)-
CID 6437049
cis-1-Chloro-pent-2-ene
CID 12215088
1-Chloro-2-heptene
CID 5475544
2-Hexene, 1-chloro-
CID 5362650
3-Hexene, 1-chloro-, (3E)-
CID 6437766
cis-6-Chloro-2-hexene
CID 12466001
4-Chloro-2-pentene
CID 518970
2-Chloro-2-pentene
CID 5463222

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).