1-(oxolan-3-yl)but-3-en-1-ol

C8H14O2 — CID 65329899

IUPAC1-(oxolan-3-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CCOC1
InChIInChI=1S/C8H14O2/c1-2-3-8(9)7-4-5-10-6-7/h2,7-9H,1,3-6H2
InChIKeyVFAHVLVNCKDHFJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds3

About 1-(oxolan-3-yl)but-3-en-1-ol

1-(oxolan-3-yl)but-3-en-1-ol (PubChem CID 65329899) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(oxolan-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(oxolan-3-yl)but-3-en-1-ol
PubChem CID65329899
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(oxolan-3-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CCOC1
InChIInChI=1S/C8H14O2/c1-2-3-8(9)7-4-5-10-6-7/h2,7-9H,1,3-6H2
InChIKeyVFAHVLVNCKDHFJ-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-3-yl)pent-4-en-1-ol
CID 65330730
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-(oxiran-2-yl)but-3-en-1-ol
CID 11126217
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol
CID 115778669
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)but-3-en-1-ol?
The IUPAC name of 1-(oxolan-3-yl)but-3-en-1-ol (CID 65329899) is 1-(oxolan-3-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(oxolan-3-yl)but-3-en-1-ol?
The canonical SMILES for 1-(oxolan-3-yl)but-3-en-1-ol is C=CCC(O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)but-3-en-1-ol?
The InChIKey is VFAHVLVNCKDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-8(9)7-4-5-10-6-7/h2,7-9H,1,3-6H2.
What are the key properties of 1-(oxolan-3-yl)but-3-en-1-ol?
1-(oxolan-3-yl)but-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)but-3-en-1-ol is sourced from PubChem (CID 65329899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).