2-prop-2-enyl-(213C)1,3-dioxolane

C6H10O2 — CID 173279538

IUPAC2-prop-2-enyl-(213C)1,3-dioxolane
SMILESC=CC[13CH]1OCCO1
InChIInChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2,6H,1,3-5H2/i6+1
InChIKeyURORFZFSRFKQKV-PTQBSOBMSA-N
MW115.14 g/mol
LogP0.94
Rot. Bonds2

About 2-prop-2-enyl-(213C)1,3-dioxolane

2-prop-2-enyl-(213C)1,3-dioxolane (PubChem CID 173279538) has the molecular formula C6H10O2 and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-prop-2-enyl-(213C)1,3-dioxolane.

Molecular Properties

Compound Name2-prop-2-enyl-(213C)1,3-dioxolane
PubChem CID173279538
Molecular FormulaC6H10O2
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-prop-2-enyl-(213C)1,3-dioxolane
SMILESC=CC[13CH]1OCCO1
InChIInChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2,6H,1,3-5H2/i6+1
InChIKeyURORFZFSRFKQKV-PTQBSOBMSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
CID 71352416
(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
CID 71376459
(E)-4-(1,3-dioxolan-2-yl)but-2-enal
CID 11367047
(4-prop-2-enyloxan-2-yl)silane
CID 173307911
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
4-prop-2-enyl-1,3-dioxetan-2-one
CID 172773496
2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
CID 57372841
2-[(E)-3-cyclopentylprop-2-enyl]-1,3-dioxolane
CID 90425466
3-chloro-2-prop-2-enyloxolane
CID 13494562
(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
CID 130142829
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
CID 131236900

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-(213C)1,3-dioxolane?
The IUPAC name of 2-prop-2-enyl-(213C)1,3-dioxolane (CID 173279538) is 2-prop-2-enyl-(213C)1,3-dioxolane.
What is the SMILES notation for 2-prop-2-enyl-(213C)1,3-dioxolane?
The canonical SMILES for 2-prop-2-enyl-(213C)1,3-dioxolane is C=CC[13CH]1OCCO1.
What is the InChIKey of 2-prop-2-enyl-(213C)1,3-dioxolane?
The InChIKey is URORFZFSRFKQKV-PTQBSOBMSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2,6H,1,3-5H2/i6+1.
What are the key properties of 2-prop-2-enyl-(213C)1,3-dioxolane?
2-prop-2-enyl-(213C)1,3-dioxolane has a molecular weight of 115.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-(213C)1,3-dioxolane is sourced from PubChem (CID 173279538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).