2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane

C13H16O2 — CID 11321664

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane
SMILESCC1COC(C2CCc3ccccc32)O1
InChIInChI=1S/C13H16O2/c1-9-8-14-13(15-9)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-13H,6-8H2,1H3
InChIKeyOMOHCDREDNQSKL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.48
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane

2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane (PubChem CID 11321664) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane
PubChem CID11321664
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane
SMILESCC1COC(C2CCc3ccccc32)O1
InChIInChI=1S/C13H16O2/c1-9-8-14-13(15-9)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-13H,6-8H2,1H3
InChIKeyOMOHCDREDNQSKL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
(2R,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-phenyloxolane
CID 102174724
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
CID 102162860
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
(3aR,9bR)-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10261870
(4aR,10bR)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10750589

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane (CID 11321664) is 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane is CC1COC(C2CCc3ccccc32)O1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane?
The InChIKey is OMOHCDREDNQSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-8-14-13(15-9)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane?
2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-dioxolane has a molecular weight of 204.27 g/mol, XLogP of 2.48, 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-1-yl)-4-methyl-1,3-dioxolane is sourced from PubChem (CID 11321664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).