8,8-dimethoxyoct-4-en-1-ol

C10H20O3 — CID 71407292

IUPAC8,8-dimethoxyoct-4-en-1-ol
SMILESCOC(CCC=CCCCO)OC
InChIInChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3
InChIKeyCXPFMFYQOMNJPN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds8

About 8,8-dimethoxyoct-4-en-1-ol

8,8-dimethoxyoct-4-en-1-ol (PubChem CID 71407292) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8,8-dimethoxyoct-4-en-1-ol.

Molecular Properties

Compound Name8,8-dimethoxyoct-4-en-1-ol
PubChem CID71407292
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name8,8-dimethoxyoct-4-en-1-ol
SMILESCOC(CCC=CCCCO)OC
InChIInChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3
InChIKeyCXPFMFYQOMNJPN-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8,8-dimethoxyoct-4-en-1-ol?
The IUPAC name of 8,8-dimethoxyoct-4-en-1-ol (CID 71407292) is 8,8-dimethoxyoct-4-en-1-ol.
What is the SMILES notation for 8,8-dimethoxyoct-4-en-1-ol?
The canonical SMILES for 8,8-dimethoxyoct-4-en-1-ol is COC(CCC=CCCCO)OC.
What is the InChIKey of 8,8-dimethoxyoct-4-en-1-ol?
The InChIKey is CXPFMFYQOMNJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 8,8-dimethoxyoct-4-en-1-ol?
8,8-dimethoxyoct-4-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethoxyoct-4-en-1-ol is sourced from PubChem (CID 71407292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).