(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol

C10H16O3 — CID 89301687

IUPAC(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol
SMILESCOCO/C=C/C=C(C)\C=C(/C)O
InChIInChI=1S/C10H16O3/c1-9(7-10(2)11)5-4-6-13-8-12-3/h4-7,11H,8H2,1-3H3/b6-4+,9-5-,10-7+
InChIKeyKSZHCWPRKJEFQS-DBCLTGCTSA-N
MW184.23 g/mol
LogP2.53
Rot. Bonds5

About (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol

(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol (PubChem CID 89301687) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol
PubChem CID89301687
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol
SMILESCOCO/C=C/C=C(C)\C=C(/C)O
InChIInChI=1S/C10H16O3/c1-9(7-10(2)11)5-4-6-13-8-12-3/h4-7,11H,8H2,1-3H3/b6-4+,9-5-,10-7+
InChIKeyKSZHCWPRKJEFQS-DBCLTGCTSA-N
XLogP2.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol 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 (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol (CID 89301687) is (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol is COCO/C=C/C=C(C)\C=C(/C)O.
What is the InChIKey of (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol?
The InChIKey is KSZHCWPRKJEFQS-DBCLTGCTSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(7-10(2)11)5-4-6-13-8-12-3/h4-7,11H,8H2,1-3H3/b6-4+,9-5-,10-7+.
What are the key properties of (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol?
(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol has a molecular weight of 184.23 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol is sourced from PubChem (CID 89301687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).