(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol

C10H20O3 — CID 10976246

IUPAC(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol
SMILESCOCOC(C)/C(C)=C(\C)CCO
InChIInChI=1S/C10H20O3/c1-8(5-6-11)9(2)10(3)13-7-12-4/h10-11H,5-7H2,1-4H3/b9-8+
InChIKeyAZHBAZGKUYIDCJ-CMDGGOBGSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds6

About (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol

(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol (PubChem CID 10976246) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol
PubChem CID10976246
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol
SMILESCOCOC(C)/C(C)=C(\C)CCO
InChIInChI=1S/C10H20O3/c1-8(5-6-11)9(2)10(3)13-7-12-4/h10-11H,5-7H2,1-4H3/b9-8+
InChIKeyAZHBAZGKUYIDCJ-CMDGGOBGSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol?
The IUPAC name of (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol (CID 10976246) is (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol.
What is the SMILES notation for (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol?
The canonical SMILES for (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol is COCOC(C)/C(C)=C(\C)CCO.
What is the InChIKey of (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol?
The InChIKey is AZHBAZGKUYIDCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(5-6-11)9(2)10(3)13-7-12-4/h10-11H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol?
(E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(methoxymethoxy)-3,4-dimethylhex-3-en-1-ol is sourced from PubChem (CID 10976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).