2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane

C11H16O2 — CID 101026946

IUPAC2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane
SMILESC1=C(/C=C/CC2OCCO2)CCC1
InChIInChI=1S/C11H16O2/c1-2-5-10(4-1)6-3-7-11-12-8-9-13-11/h3-4,6,11H,1-2,5,7-9H2/b6-3+
InChIKeyYTMDWJXLNSCRFX-ZZXKWVIFSA-N
MW180.25 g/mol
LogP2.42
Rot. Bonds3

About 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane

2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane (PubChem CID 101026946) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane
PubChem CID101026946
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane
SMILESC1=C(/C=C/CC2OCCO2)CCC1
InChIInChI=1S/C11H16O2/c1-2-5-10(4-1)6-3-7-11-12-8-9-13-11/h3-4,6,11H,1-2,5,7-9H2/b6-3+
InChIKeyYTMDWJXLNSCRFX-ZZXKWVIFSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane (CID 101026946) is 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane is C1=C(/C=C/CC2OCCO2)CCC1.
What is the InChIKey of 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane?
The InChIKey is YTMDWJXLNSCRFX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-5-10(4-1)6-3-7-11-12-8-9-13-11/h3-4,6,11H,1-2,5,7-9H2/b6-3+.
What are the key properties of 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane?
2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane has a molecular weight of 180.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(cyclopenten-1-yl)prop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 101026946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).