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

C7H14O3 — CID 13027284

IUPAC4-(1,3-dioxolan-2-yl)butan-1-ol
SMILESOCCCCC1OCCO1
InChIInChI=1S/C7H14O3/c8-4-2-1-3-7-9-5-6-10-7/h7-8H,1-6H2
InChIKeyQUPUQCVMVRBUTO-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds4

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

4-(1,3-dioxolan-2-yl)butan-1-ol (PubChem CID 13027284) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)butan-1-ol
PubChem CID13027284
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-(1,3-dioxolan-2-yl)butan-1-ol
SMILESOCCCCC1OCCO1
InChIInChI=1S/C7H14O3/c8-4-2-1-3-7-9-5-6-10-7/h7-8H,1-6H2
InChIKeyQUPUQCVMVRBUTO-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane-2-propanol
CID 11970929
(5-Methoxyoxolan-2-yl)methanol
CID 325831
2,5-Dimethoxytetrahydrofurfuryl alcohol
CID 12389454
(5-Ethoxyoxolan-2-yl)methanol
CID 23332390
Ethylene glycol alpha-arabinofuranoside
CID 129854935
1-Hydroxymethylxylofuranose
CID 134692636
[(2S)-5-methoxyoxolan-2-yl]methanol
CID 10678276
Oxolan-2-ylmethoxymethanol
CID 20155857
3-(1,3-Dioxolan-4-yl)propan-1-ol
CID 20454213
[(2S,5S)-5-methoxyoxolan-2-yl]methanol
CID 46894431
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyethane-1,2-diol
CID 53882620
[(5S)-5-ethoxyoxolan-2-yl]methanol
CID 56613137

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)butan-1-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)butan-1-ol (CID 13027284) is 4-(1,3-dioxolan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)butan-1-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)butan-1-ol is OCCCCC1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)butan-1-ol?
The InChIKey is QUPUQCVMVRBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-4-2-1-3-7-9-5-6-10-7/h7-8H,1-6H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)butan-1-ol?
4-(1,3-dioxolan-2-yl)butan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)butan-1-ol is sourced from PubChem (CID 13027284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).