3-pent-4-en-2-yldioxolane

C8H14O2 — CID 134227286

IUPAC3-pent-4-en-2-yldioxolane
SMILESC=CCC(C)C1CCOO1
InChIInChI=1S/C8H14O2/c1-3-4-7(2)8-5-6-9-10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyXGCAHLDCMXIIKX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.92
Rot. Bonds3

About 3-pent-4-en-2-yldioxolane

3-pent-4-en-2-yldioxolane (PubChem CID 134227286) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-pent-4-en-2-yldioxolane.

Molecular Properties

Compound Name3-pent-4-en-2-yldioxolane
PubChem CID134227286
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-pent-4-en-2-yldioxolane
SMILESC=CCC(C)C1CCOO1
InChIInChI=1S/C8H14O2/c1-3-4-7(2)8-5-6-9-10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyXGCAHLDCMXIIKX-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-3-prop-2-enyldioxolane
CID 139821071
3-Propan-2-yl-5-prop-2-enyldioxolane
CID 155147329
3-Heptan-2-yl-5-prop-2-enyldioxolane
CID 155155802
3-[(2S)-but-3-en-2-yl]-5-hexyldioxolane
CID 155155900
Ethane;3-hexan-2-yl-5-prop-2-enyldioxolane
CID 155699389
2-Methyl-4-prop-2-enyloxolane
CID 173352733
3,4-Bis(prop-2-enyl)dioxolane
CID 173580647
(2R)-2-ethyl-3-prop-2-enyloxolane
CID 174082547
(2S,3S)-3-ethenyl-2-ethyloxolane
CID 175638918
(3R,4S)-3-methyl-4-prop-2-enyldioxolane
CID 14417010
3-Methyl-2-prop-2-enyloxolane
CID 14691300
3-Hexan-2-yl-5-prop-2-enyldioxolane
CID 155699390

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-en-2-yldioxolane?
The IUPAC name of 3-pent-4-en-2-yldioxolane (CID 134227286) is 3-pent-4-en-2-yldioxolane.
What is the SMILES notation for 3-pent-4-en-2-yldioxolane?
The canonical SMILES for 3-pent-4-en-2-yldioxolane is C=CCC(C)C1CCOO1.
What is the InChIKey of 3-pent-4-en-2-yldioxolane?
The InChIKey is XGCAHLDCMXIIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-7(2)8-5-6-9-10-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-pent-4-en-2-yldioxolane?
3-pent-4-en-2-yldioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-en-2-yldioxolane is sourced from PubChem (CID 134227286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).