1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol

C10H20O3 — CID 79190245

IUPAC1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol
SMILESCOC(CC(C)(O)C=C(C)C)OC
InChIInChI=1S/C10H20O3/c1-8(2)6-10(3,11)7-9(12-4)13-5/h6,9,11H,7H2,1-5H3
InChIKeyHXUZXVGFNSGWEO-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds5

About 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol

1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol (PubChem CID 79190245) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol
PubChem CID79190245
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol
SMILESCOC(CC(C)(O)C=C(C)C)OC
InChIInChI=1S/C10H20O3/c1-8(2)6-10(3,11)7-9(12-4)13-5/h6,9,11H,7H2,1-5H3
InChIKeyHXUZXVGFNSGWEO-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol?
The IUPAC name of 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol (CID 79190245) is 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol is COC(CC(C)(O)C=C(C)C)OC.
What is the InChIKey of 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol?
The InChIKey is HXUZXVGFNSGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)6-10(3,11)7-9(12-4)13-5/h6,9,11H,7H2,1-5H3.
What are the key properties of 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol?
1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 79190245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).