(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene

C9H13Cl — CID 143318485

IUPAC(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C(C)\C(C)=C/C
InChIInChI=1S/C9H13Cl/c1-5-7(2)8(3)6-9(4)10/h5-6H,4H2,1-3H3/b7-5-,8-6-
InChIKeyMXDATPBABCBLBO-SFECMWDFSA-N
MW156.66 g/mol
LogP3.65
Rot. Bonds2

About (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene

(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene (PubChem CID 143318485) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
PubChem CID143318485
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C(C)\C(C)=C/C
InChIInChI=1S/C9H13Cl/c1-5-7(2)8(3)6-9(4)10/h5-6H,4H2,1-3H3/b7-5-,8-6-
InChIKeyMXDATPBABCBLBO-SFECMWDFSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 53.65
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
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420
(3E)-3-bromo-5-chlorohexa-1,3,5-trien-2-ol
CID 144892135
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
(3E)-5-chloro-3-methoxy-2-methylhexa-1,3,5-triene;ethane
CID 144678723
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(3E)-2,4-dichlorohexa-1,3,5-triene
CID 135244862

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene (CID 143318485) is (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene is C=C(Cl)/C=C(C)\C(C)=C/C.
What is the InChIKey of (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene?
The InChIKey is MXDATPBABCBLBO-SFECMWDFSA-N. The full InChI is InChI=1S/C9H13Cl/c1-5-7(2)8(3)6-9(4)10/h5-6H,4H2,1-3H3/b7-5-,8-6-.
What are the key properties of (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene?
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene has a molecular weight of 156.66 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 143318485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).