(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene

C11H18O — CID 143689176

IUPAC(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene
SMILESC=C/C=C(/CC(C)C)C(=C)OC
InChIInChI=1S/C11H18O/c1-6-7-11(8-9(2)3)10(4)12-5/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-
InChIKeyLIUHMUOMLVIEMU-XFFZJAGNSA-N
MW166.26 g/mol
LogP3.31
Rot. Bonds5

About (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene

(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene (PubChem CID 143689176) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene
PubChem CID143689176
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene
SMILESC=C/C=C(/CC(C)C)C(=C)OC
InChIInChI=1S/C11H18O/c1-6-7-11(8-9(2)3)10(4)12-5/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-
InChIKeyLIUHMUOMLVIEMU-XFFZJAGNSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene?
The IUPAC name of (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene (CID 143689176) is (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene.
What is the SMILES notation for (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene?
The canonical SMILES for (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene is C=C/C=C(/CC(C)C)C(=C)OC.
What is the InChIKey of (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene?
The InChIKey is LIUHMUOMLVIEMU-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18O/c1-6-7-11(8-9(2)3)10(4)12-5/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-.
What are the key properties of (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene?
(3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(1-methoxyethenyl)-6-methylhepta-1,3-diene is sourced from PubChem (CID 143689176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).