ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one

C11H22O3 — CID 171099461

IUPACethane;5-(1-methoxypropyl)-4-methyloxolan-3-one
SMILESCC.CCC(OC)C1OCC(=O)C1C
InChIInChI=1S/C9H16O3.C2H6/c1-4-8(11-3)9-6(2)7(10)5-12-9;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyIXZGFPLGXHKACR-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.04
Rot. Bonds3

About ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one

ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one (PubChem CID 171099461) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one.

Molecular Properties

Compound Nameethane;5-(1-methoxypropyl)-4-methyloxolan-3-one
PubChem CID171099461
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethane;5-(1-methoxypropyl)-4-methyloxolan-3-one
SMILESCC.CCC(OC)C1OCC(=O)C1C
InChIInChI=1S/C9H16O3.C2H6/c1-4-8(11-3)9-6(2)7(10)5-12-9;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyIXZGFPLGXHKACR-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4S)-3-ethoxy-5-oxaspiro(3.4)octan-1-one
CID 97184546
2-(Tetrahydro-alpha-furyl)-5,5-dimethyltetrahydrofuran-4-one
CID 129810645
1-[2-Acetyl-4,5-bis(methoxymethyl)oxolan-3-yl]ethanone
CID 54258843
(4S,5S)-4-ethyl-5-propyloxolan-3-one
CID 89163391
(2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 122545544
(2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 122545552
4-Ethyl-5-propyloxolan-3-one
CID 143850204
(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
CID 155206829
4-(3,4-Dimethyloxolan-2-yl)-4-ethoxybutan-2-one
CID 57895422
2-Ethoxy-1-(oxolan-3-yl)propan-1-one
CID 64540893
3-Ethoxy-5-oxaspiro[3.4]octan-1-one
CID 71758661
(3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-one
CID 75480489

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one?
The IUPAC name of ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one (CID 171099461) is ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one.
What is the SMILES notation for ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one?
The canonical SMILES for ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one is CC.CCC(OC)C1OCC(=O)C1C.
What is the InChIKey of ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one?
The InChIKey is IXZGFPLGXHKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C2H6/c1-4-8(11-3)9-6(2)7(10)5-12-9;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one?
ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one has a molecular weight of 202.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-methoxypropyl)-4-methyloxolan-3-one is sourced from PubChem (CID 171099461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).