(2E,4E)-3-chloro-4-methylhexa-2,4-diene

C7H11Cl — CID 144881420

IUPAC(2E,4E)-3-chloro-4-methylhexa-2,4-diene
SMILESC/C=C(C)/C(Cl)=C\C
InChIInChI=1S/C7H11Cl/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyJOUYMKILPIPNHT-YDFGWWAZSA-N
MW130.62 g/mol
LogP3.10
Rot. Bonds1

About (2E,4E)-3-chloro-4-methylhexa-2,4-diene

(2E,4E)-3-chloro-4-methylhexa-2,4-diene (PubChem CID 144881420) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is (2E,4E)-3-chloro-4-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-3-chloro-4-methylhexa-2,4-diene
PubChem CID144881420
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name(2E,4E)-3-chloro-4-methylhexa-2,4-diene
SMILESC/C=C(C)/C(Cl)=C\C
InChIInChI=1S/C7H11Cl/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyJOUYMKILPIPNHT-YDFGWWAZSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-2,5-dichloro-4-methylhepta-1,3,5-triene
CID 142202434
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(E)-2-chlorobut-2-enoyl chloride
CID 21219644
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
1,2,4-trichloro-3-methylbuta-1,3-diene
CID 71430136
1,1-dichloroprop-1-ene
CID 157073234
(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
CID 5466616
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
(3E)-3-chloro-2-fluoropenta-1,3-diene
CID 143057342
CID 175192206
CID 175192206
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
3-methylpent-3-en-2-ylidenetungsten
CID 23389049

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-chloro-4-methylhexa-2,4-diene?
The IUPAC name of (2E,4E)-3-chloro-4-methylhexa-2,4-diene (CID 144881420) is (2E,4E)-3-chloro-4-methylhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-3-chloro-4-methylhexa-2,4-diene?
The canonical SMILES for (2E,4E)-3-chloro-4-methylhexa-2,4-diene is C/C=C(C)/C(Cl)=C\C.
What is the InChIKey of (2E,4E)-3-chloro-4-methylhexa-2,4-diene?
The InChIKey is JOUYMKILPIPNHT-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11Cl/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-3-chloro-4-methylhexa-2,4-diene?
(2E,4E)-3-chloro-4-methylhexa-2,4-diene has a molecular weight of 130.62 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-chloro-4-methylhexa-2,4-diene is sourced from PubChem (CID 144881420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).