2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane

C11H14OS — CID 10058472

IUPAC2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane
SMILESCC(=C1C=CC=C1)C1(C)OCCS1
InChIInChI=1S/C11H14OS/c1-9(10-5-3-4-6-10)11(2)12-7-8-13-11/h3-6H,7-8H2,1-2H3
InChIKeyADNZGGWNIVLLQV-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.91
Rot. Bonds1

About 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane

2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane (PubChem CID 10058472) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane
PubChem CID10058472
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane
SMILESCC(=C1C=CC=C1)C1(C)OCCS1
InChIInChI=1S/C11H14OS/c1-9(10-5-3-4-6-10)11(2)12-7-8-13-11/h3-6H,7-8H2,1-2H3
InChIKeyADNZGGWNIVLLQV-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane (CID 10058472) is 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane is CC(=C1C=CC=C1)C1(C)OCCS1.
What is the InChIKey of 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane?
The InChIKey is ADNZGGWNIVLLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-9(10-5-3-4-6-10)11(2)12-7-8-13-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane?
2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane has a molecular weight of 194.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 10058472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).