(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane

C11H17Cl — CID 143902080

IUPAC(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C(C)=C\C=C(\Cl)C=C.CC
InChIInChI=1S/C9H11Cl.C2H6/c1-4-8(3)6-7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;
InChIKeyBGJSSIGLIBJMNS-JYWQNNPFSA-N
MW184.71 g/mol
LogP4.45
Rot. Bonds3

About (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane

(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane (PubChem CID 143902080) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane.

Molecular Properties

Compound Name(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
PubChem CID143902080
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C(C)=C\C=C(\Cl)C=C.CC
InChIInChI=1S/C9H11Cl.C2H6/c1-4-8(3)6-7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;
InChIKeyBGJSSIGLIBJMNS-JYWQNNPFSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane?
The IUPAC name of (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane (CID 143902080) is (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane.
What is the SMILES notation for (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane?
The canonical SMILES for (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane is C=C/C(C)=C\C=C(\Cl)C=C.CC.
What is the InChIKey of (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane?
The InChIKey is BGJSSIGLIBJMNS-JYWQNNPFSA-N. The full InChI is InChI=1S/C9H11Cl.C2H6/c1-4-8(3)6-7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;.
What are the key properties of (3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane?
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane has a molecular weight of 184.71 g/mol, XLogP of 4.45, 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-6-methylocta-1,3,5,7-tetraene;ethane is sourced from PubChem (CID 143902080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).