(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene

C11H17ClO3 — CID 143496288

IUPAC(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene
SMILESC=C(OC)/C(OC)=C(\C=C(\C)CCl)OC
InChIInChI=1S/C11H17ClO3/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6H,2,7H2,1,3-5H3/b8-6-,11-10-
InChIKeyIAFAGLJLCSEXBG-CAVDHDHCSA-N
MW232.71 g/mol
LogP2.84
Rot. Bonds6

About (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene

(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene (PubChem CID 143496288) has the molecular formula C11H17ClO3 and a molecular weight of 232.71 g/mol. Its IUPAC name is (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene
PubChem CID143496288
Molecular FormulaC11H17ClO3
Molecular Weight232.71 g/mol
Exact Mass232.09
IUPAC Name(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene
SMILESC=C(OC)/C(OC)=C(\C=C(\C)CCl)OC
InChIInChI=1S/C11H17ClO3/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6H,2,7H2,1,3-5H3/b8-6-,11-10-
InChIKeyIAFAGLJLCSEXBG-CAVDHDHCSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene (CID 143496288) is (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene is C=C(OC)/C(OC)=C(\C=C(\C)CCl)OC.
What is the InChIKey of (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene?
The InChIKey is IAFAGLJLCSEXBG-CAVDHDHCSA-N. The full InChI is InChI=1S/C11H17ClO3/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6H,2,7H2,1,3-5H3/b8-6-,11-10-.
What are the key properties of (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene?
(3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene has a molecular weight of 232.71 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-chloro-2,3,4-trimethoxy-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 143496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).