(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene

C11H18O — CID 126634449

IUPAC(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C=C(C(=C/C)/OC)\C(C)C
InChIInChI=1S/C11H18O/c1-6-8-10(9(3)4)11(7-2)12-5/h6-9H,1H2,2-5H3/b10-8+,11-7-
InChIKeyZDBIVOGBULVJCD-KSUSISMRSA-N
MW166.26 g/mol
LogP3.31
Rot. Bonds4

About (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene

(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene (PubChem CID 126634449) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene
PubChem CID126634449
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C=C(C(=C/C)/OC)\C(C)C
InChIInChI=1S/C11H18O/c1-6-8-10(9(3)4)11(7-2)12-5/h6-9H,1H2,2-5H3/b10-8+,11-7-
InChIKeyZDBIVOGBULVJCD-KSUSISMRSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene (CID 126634449) is (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene is C=C/C=C(C(=C/C)/OC)\C(C)C.
What is the InChIKey of (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene?
The InChIKey is ZDBIVOGBULVJCD-KSUSISMRSA-N. The full InChI is InChI=1S/C11H18O/c1-6-8-10(9(3)4)11(7-2)12-5/h6-9H,1H2,2-5H3/b10-8+,11-7-.
What are the key properties of (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene?
(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 126634449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).