(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene

C11H18O — CID 118070320

IUPAC(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
SMILESC=C(COC)/C(C)=C(C)\C=C/C
InChIInChI=1S/C11H18O/c1-6-7-9(2)11(4)10(3)8-12-5/h6-7H,3,8H2,1-2,4-5H3/b7-6-,11-9-
InChIKeyILTNYEGPRYSZHW-XEZITKEBSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

About (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene

(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene (PubChem CID 118070320) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
PubChem CID118070320
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
SMILESC=C(COC)/C(C)=C(C)\C=C/C
InChIInChI=1S/C11H18O/c1-6-7-9(2)11(4)10(3)8-12-5/h6-7H,3,8H2,1-2,4-5H3/b7-6-,11-9-
InChIKeyILTNYEGPRYSZHW-XEZITKEBSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene (CID 118070320) is (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene is C=C(COC)/C(C)=C(C)\C=C/C.
What is the InChIKey of (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene?
The InChIKey is ILTNYEGPRYSZHW-XEZITKEBSA-N. The full InChI is InChI=1S/C11H18O/c1-6-7-9(2)11(4)10(3)8-12-5/h6-7H,3,8H2,1-2,4-5H3/b7-6-,11-9-.
What are the key properties of (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene?
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 118070320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).