5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one

C17H20O4 — CID 163154143

IUPAC5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one
SMILESCc1cccc2c1C(C1OC(C(C)(C)O)CC1=O)CC2=O
InChIInChI=1S/C17H20O4/c1-9-5-4-6-10-12(18)7-11(15(9)10)16-13(19)8-14(21-16)17(2,3)20/h4-6,11,14,16,20H,7-8H2,1-3H3
InChIKeyOLONMMAPRZGVJY-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one

5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one (PubChem CID 163154143) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one
PubChem CID163154143
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one
SMILESCc1cccc2c1C(C1OC(C(C)(C)O)CC1=O)CC2=O
InChIInChI=1S/C17H20O4/c1-9-5-4-6-10-12(18)7-11(15(9)10)16-13(19)8-14(21-16)17(2,3)20/h4-6,11,14,16,20H,7-8H2,1-3H3
InChIKeyOLONMMAPRZGVJY-UHFFFAOYSA-N
XLogP2.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one with MolForge

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Related Compounds

methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
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CID 131859515
3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one
CID 82504593
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677598
7-methyl-N-[(2-methylphenyl)methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677544
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117199454
(3S,4aS,10bR)-3-tert-butyl-3,10,10b-trimethyl-4a,5-dihydrobenzo[h][1,2,4]benzotrioxin-6-one
CID 134927866
N-cyclopropyl-8-methyl-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 82159395
N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677605
7-methyl-N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677546
(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 99642443

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one (CID 163154143) is 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one is Cc1cccc2c1C(C1OC(C(C)(C)O)CC1=O)CC2=O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one?
The InChIKey is OLONMMAPRZGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-9-5-4-6-10-12(18)7-11(15(9)10)16-13(19)8-14(21-16)17(2,3)20/h4-6,11,14,16,20H,7-8H2,1-3H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one?
5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one has a molecular weight of 288.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one is sourced from PubChem (CID 163154143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).