(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene

C10H15Cl — CID 144845951

IUPAC(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
SMILESC=C/C(Cl)=C(C)\C(=C/C)CC
InChIInChI=1S/C10H15Cl/c1-5-9(6-2)8(4)10(11)7-3/h5,7H,3,6H2,1-2,4H3/b9-5-,10-8+
InChIKeyNDAWPXDEHLSORD-APQBBXBWSA-N
MW170.68 g/mol
LogP4.04
Rot. Bonds3

About (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene

(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene (PubChem CID 144845951) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
PubChem CID144845951
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
SMILESC=C/C(Cl)=C(C)\C(=C/C)CC
InChIInChI=1S/C10H15Cl/c1-5-9(6-2)8(4)10(11)7-3/h5,7H,3,6H2,1-2,4H3/b9-5-,10-8+
InChIKeyNDAWPXDEHLSORD-APQBBXBWSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 54.04
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

3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
5-ethyl-3,4-dimethylidenehepta-1,5-diene
CID 91458758
(3E)-4-chloro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239286
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
3-ethylpent-3-en-2-one
CID 54009630
3,4,5-trichloropenta-1,3-diene
CID 174775530
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
CID 88957230
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene (CID 144845951) is (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene is C=C/C(Cl)=C(C)\C(=C/C)CC.
What is the InChIKey of (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene?
The InChIKey is NDAWPXDEHLSORD-APQBBXBWSA-N. The full InChI is InChI=1S/C10H15Cl/c1-5-9(6-2)8(4)10(11)7-3/h5,7H,3,6H2,1-2,4H3/b9-5-,10-8+.
What are the key properties of (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene?
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene has a molecular weight of 170.68 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 144845951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).