(2E,4Z)-3-chloro-4-methylhepta-2,4-diene

C8H13Cl — CID 134365693

IUPAC(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
SMILESC/C=C(Cl)\C(C)=C/CC
InChIInChI=1S/C8H13Cl/c1-4-6-7(3)8(9)5-2/h5-6H,4H2,1-3H3/b7-6-,8-5+
InChIKeyHJCRZLFNKPFVFI-WNXMRAAYSA-N
MW144.64 g/mol
LogP3.49
Rot. Bonds2

About (2E,4Z)-3-chloro-4-methylhepta-2,4-diene

(2E,4Z)-3-chloro-4-methylhepta-2,4-diene (PubChem CID 134365693) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (2E,4Z)-3-chloro-4-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
PubChem CID134365693
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
SMILESC/C=C(Cl)\C(C)=C/CC
InChIInChI=1S/C8H13Cl/c1-4-6-7(3)8(9)5-2/h5-6H,4H2,1-3H3/b7-6-,8-5+
InChIKeyHJCRZLFNKPFVFI-WNXMRAAYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.49
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

(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
CID 123348699
(2E,4E)-3-bromo-5-chloro-2-[(Z)-1-chlorobut-1-enyl]hexa-2,4-dienoic acid
CID 134396333
(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
CID 88840980
(E)-2-methylpent-2-enoate
CID 7006461
CID 158703292
CID 158703292
(E)-2-methylpent-2-enethioate
CID 6365955
2-methylpent-2-enamide
CID 66895957

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-chloro-4-methylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-3-chloro-4-methylhepta-2,4-diene (CID 134365693) is (2E,4Z)-3-chloro-4-methylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-chloro-4-methylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-chloro-4-methylhepta-2,4-diene is C/C=C(Cl)\C(C)=C/CC.
What is the InChIKey of (2E,4Z)-3-chloro-4-methylhepta-2,4-diene?
The InChIKey is HJCRZLFNKPFVFI-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-4-6-7(3)8(9)5-2/h5-6H,4H2,1-3H3/b7-6-,8-5+.
What are the key properties of (2E,4Z)-3-chloro-4-methylhepta-2,4-diene?
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene has a molecular weight of 144.64 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-chloro-4-methylhepta-2,4-diene is sourced from PubChem (CID 134365693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).