2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane

C13H16O2 — CID 82126227

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)CCC3)OCCO1
InChIInChI=1S/C13H16O2/c1-13(14-7-8-15-13)12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOIIXSOCXBWILKW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.39
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane

2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane (PubChem CID 82126227) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
PubChem CID82126227
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)CCC3)OCCO1
InChIInChI=1S/C13H16O2/c1-13(14-7-8-15-13)12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOIIXSOCXBWILKW-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane (CID 82126227) is 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane is CC1(c2ccc3c(c2)CCC3)OCCO1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane?
The InChIKey is OIIXSOCXBWILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(14-7-8-15-13)12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane?
2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane has a molecular weight of 204.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 82126227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).