1,1-dimethoxypent-4-en-2-ol

C7H14O3 — CID 10329416

IUPAC1,1-dimethoxypent-4-en-2-ol
SMILESC=CCC(O)C(OC)OC
InChIInChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3
InChIKeyFIIWUWIGTWXXSP-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds5

About 1,1-dimethoxypent-4-en-2-ol

1,1-dimethoxypent-4-en-2-ol (PubChem CID 10329416) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,1-dimethoxypent-4-en-2-ol.

Molecular Properties

Compound Name1,1-dimethoxypent-4-en-2-ol
PubChem CID10329416
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1,1-dimethoxypent-4-en-2-ol
SMILESC=CCC(O)C(OC)OC
InChIInChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3
InChIKeyFIIWUWIGTWXXSP-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
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-dimethoxypent-4-en-2-ol?
The IUPAC name of 1,1-dimethoxypent-4-en-2-ol (CID 10329416) is 1,1-dimethoxypent-4-en-2-ol.
What is the SMILES notation for 1,1-dimethoxypent-4-en-2-ol?
The canonical SMILES for 1,1-dimethoxypent-4-en-2-ol is C=CCC(O)C(OC)OC.
What is the InChIKey of 1,1-dimethoxypent-4-en-2-ol?
The InChIKey is FIIWUWIGTWXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1,1-dimethoxypent-4-en-2-ol?
1,1-dimethoxypent-4-en-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypent-4-en-2-ol is sourced from PubChem (CID 10329416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).