3-prop-2-enyloxolane

C7H12O — CID 22481091

IUPAC3-prop-2-enyloxolane
SMILESC=CCC1CCOC1
InChIInChI=1S/C7H12O/c1-2-3-7-4-5-8-6-7/h2,7H,1,3-6H2
InChIKeyHZRCQMKFXBEMFJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds2

About 3-prop-2-enyloxolane

3-prop-2-enyloxolane (PubChem CID 22481091) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-prop-2-enyloxolane.

Molecular Properties

Compound Name3-prop-2-enyloxolane
PubChem CID22481091
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-prop-2-enyloxolane
SMILESC=CCC1CCOC1
InChIInChI=1S/C7H12O/c1-2-3-7-4-5-8-6-7/h2,7H,1,3-6H2
InChIKeyHZRCQMKFXBEMFJ-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(oxolan-3-yl)pent-3-en-1-ol
CID 117267415
3-(ethylsulfanylmethyl)oxolane
CID 130928771
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine
CID 166674402
5-(oxolan-3-yl)pent-1-en-3-one
CID 131226975
1-(oxolan-3-yl)non-8-en-2-amine
CID 107009635
4-prop-2-enyloxan-2-one
CID 10558704
(4-prop-2-enyloxan-2-yl)silane
CID 173307911
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
CID 71352416

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyloxolane?
The IUPAC name of 3-prop-2-enyloxolane (CID 22481091) is 3-prop-2-enyloxolane.
What is the SMILES notation for 3-prop-2-enyloxolane?
The canonical SMILES for 3-prop-2-enyloxolane is C=CCC1CCOC1.
What is the InChIKey of 3-prop-2-enyloxolane?
The InChIKey is HZRCQMKFXBEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-7-4-5-8-6-7/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enyloxolane?
3-prop-2-enyloxolane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyloxolane is sourced from PubChem (CID 22481091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).