(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene

C8H11Cl — CID 142150750

IUPAC(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C=C(/C)C(=C)Cl
InChIInChI=1S/C8H11Cl/c1-6(2)5-7(3)8(4)9/h5H,1,4H2,2-3H3/b7-5-
InChIKeySZFFSVQRBVXHDZ-ALCCZGGFSA-N
MW142.63 g/mol
LogP3.26
Rot. Bonds2

About (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene

(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene (PubChem CID 142150750) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
PubChem CID142150750
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C=C(/C)C(=C)Cl
InChIInChI=1S/C8H11Cl/c1-6(2)5-7(3)8(4)9/h5H,1,4H2,2-3H3/b7-5-
InChIKeySZFFSVQRBVXHDZ-ALCCZGGFSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 53.26
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

(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
CID 144809276
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
(5Z,6Z)-8-chloro-5-ethylidene-7-methylnona-6,8-dien-2-one
CID 156886732
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
CID 154431203
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3Z)-2,4,8-trimethyl-5-methylidenenona-1,3,8-trien-6-yne
CID 144950262
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene?
The IUPAC name of (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene (CID 142150750) is (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene is C=C(C)/C=C(/C)C(=C)Cl.
What is the InChIKey of (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene?
The InChIKey is SZFFSVQRBVXHDZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11Cl/c1-6(2)5-7(3)8(4)9/h5H,1,4H2,2-3H3/b7-5-.
What are the key properties of (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene?
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene has a molecular weight of 142.63 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene is sourced from PubChem (CID 142150750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).