(3Z)-2-chloro-5-methylhexa-1,3-diene

C7H11Cl — CID 129234698

IUPAC(3Z)-2-chloro-5-methylhexa-1,3-diene
SMILESC=C(Cl)/C=C\C(C)C
InChIInChI=1S/C7H11Cl/c1-6(2)4-5-7(3)8/h4-6H,3H2,1-2H3/b5-4-
InChIKeyRNOPLRBARRBERE-PLNGDYQASA-N
MW130.62 g/mol
LogP2.95
Rot. Bonds2

About (3Z)-2-chloro-5-methylhexa-1,3-diene

(3Z)-2-chloro-5-methylhexa-1,3-diene (PubChem CID 129234698) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is (3Z)-2-chloro-5-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-chloro-5-methylhexa-1,3-diene
PubChem CID129234698
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name(3Z)-2-chloro-5-methylhexa-1,3-diene
SMILESC=C(Cl)/C=C\C(C)C
InChIInChI=1S/C7H11Cl/c1-6(2)4-5-7(3)8/h4-6H,3H2,1-2H3/b5-4-
InChIKeyRNOPLRBARRBERE-PLNGDYQASA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.95
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)-2,5-dichlorohexa-1,3-diene
CID 102247590
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
(Z)-2-methyl-5-methylideneoct-3-ene
CID 143255945
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
2-chloro-5-methylhexa-1,3-diene
CID 91414508
(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
CID 143340154
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-5-methylhexa-1,3-diene?
The IUPAC name of (3Z)-2-chloro-5-methylhexa-1,3-diene (CID 129234698) is (3Z)-2-chloro-5-methylhexa-1,3-diene.
What is the SMILES notation for (3Z)-2-chloro-5-methylhexa-1,3-diene?
The canonical SMILES for (3Z)-2-chloro-5-methylhexa-1,3-diene is C=C(Cl)/C=C\C(C)C.
What is the InChIKey of (3Z)-2-chloro-5-methylhexa-1,3-diene?
The InChIKey is RNOPLRBARRBERE-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11Cl/c1-6(2)4-5-7(3)8/h4-6H,3H2,1-2H3/b5-4-.
What are the key properties of (3Z)-2-chloro-5-methylhexa-1,3-diene?
(3Z)-2-chloro-5-methylhexa-1,3-diene has a molecular weight of 130.62 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-chloro-5-methylhexa-1,3-diene is sourced from PubChem (CID 129234698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).