4-(1,3-dioxolan-2-yloxy)butan-1-ol

C7H14O4 — CID 23298944

IUPAC4-(1,3-dioxolan-2-yloxy)butan-1-ol
SMILESOCCCCOC1OCCO1
InChIInChI=1S/C7H14O4/c8-3-1-2-4-9-7-10-5-6-11-7/h7-8H,1-6H2
InChIKeyWVJCIWWRXMSNBN-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.11
Rot. Bonds5

About 4-(1,3-dioxolan-2-yloxy)butan-1-ol

4-(1,3-dioxolan-2-yloxy)butan-1-ol (PubChem CID 23298944) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yloxy)butan-1-ol
PubChem CID23298944
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4-(1,3-dioxolan-2-yloxy)butan-1-ol
SMILESOCCCCOC1OCCO1
InChIInChI=1S/C7H14O4/c8-3-1-2-4-9-7-10-5-6-11-7/h7-8H,1-6H2
InChIKeyWVJCIWWRXMSNBN-UHFFFAOYSA-N
XLogP0.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yloxy)butan-1-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yloxy)butan-1-ol (CID 23298944) is 4-(1,3-dioxolan-2-yloxy)butan-1-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yloxy)butan-1-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yloxy)butan-1-ol is OCCCCOC1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yloxy)butan-1-ol?
The InChIKey is WVJCIWWRXMSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c8-3-1-2-4-9-7-10-5-6-11-7/h7-8H,1-6H2.
What are the key properties of 4-(1,3-dioxolan-2-yloxy)butan-1-ol?
4-(1,3-dioxolan-2-yloxy)butan-1-ol has a molecular weight of 162.18 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yloxy)butan-1-ol is sourced from PubChem (CID 23298944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).