ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane

C10H18O2 — CID 143261797

IUPACethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
SMILESC=CC1OCOC1/C=C\C.CC
InChIInChI=1S/C8H12O2.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3/b5-3-;
InChIKeySPPXRYNCQWEXPS-FBZPGIPVSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds2

About ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane

ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane (PubChem CID 143261797) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Nameethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
PubChem CID143261797
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
SMILESC=CC1OCOC1/C=C\C.CC
InChIInChI=1S/C8H12O2.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3/b5-3-;
InChIKeySPPXRYNCQWEXPS-FBZPGIPVSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
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

4-ethenyl-5-methyl-1,3-dioxolane
CID 154265114
4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
CID 143329167
(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
CID 143794731
ethane;2-methyloxirane;prop-1-ene
CID 159933828
2-but-2-en-2-yl-1,3-dioxetane
CID 123232646
2-methyloxirane;bis(prop-1-ene)
CID 157154960
(1S,4R,5R)-4-ethenyl-1-methyl-3-oxabicyclo[3.1.0]hexane
CID 15313308
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine
CID 5354360
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
CID 22848915

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane (CID 143261797) is ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane is C=CC1OCOC1/C=C\C.CC.
What is the InChIKey of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is SPPXRYNCQWEXPS-FBZPGIPVSA-N. The full InChI is InChI=1S/C8H12O2.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3/b5-3-;.
What are the key properties of ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane?
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 143261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).