5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one

C14H16O2 — CID 82113766

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
SMILESCC1(c2ccc3c(c2)CCC3)CCC(=O)O1
InChIInChI=1S/C14H16O2/c1-14(8-7-13(15)16-14)12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXXESXZSCPMMUEB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one

5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one (PubChem CID 82113766) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
PubChem CID82113766
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
SMILESCC1(c2ccc3c(c2)CCC3)CCC(=O)O1
InChIInChI=1S/C14H16O2/c1-14(8-7-13(15)16-14)12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXXESXZSCPMMUEB-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-oxazolidin-2-one
CID 82048800
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
CID 82126227
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
5-(2,5-difluorophenyl)-5-methyloxolan-2-one
CID 82113386
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
3-hydroxy-4-[(2S)-2-methyl-5-oxooxolan-2-yl]benzoic acid
CID 146684273
3-(2,3-dihydro-1H-inden-5-yl)oxetane-3-carbonitrile
CID 116873126
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 117047084
5-(1-isocyanatocyclopentyl)-2,3-dihydro-1H-indene
CID 117327358
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one (CID 82113766) is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one is CC1(c2ccc3c(c2)CCC3)CCC(=O)O1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one?
The InChIKey is XXESXZSCPMMUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-14(8-7-13(15)16-14)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 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one?
5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one is sourced from PubChem (CID 82113766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).