1-(5-methyloxolan-3-yl)-2-propoxyethanone

C10H18O3 — CID 115783118

IUPAC1-(5-methyloxolan-3-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1COC(C)C1
InChIInChI=1S/C10H18O3/c1-3-4-12-7-10(11)9-5-8(2)13-6-9/h8-9H,3-7H2,1-2H3
InChIKeyHSXBOZZDMHGNPJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds5

About 1-(5-methyloxolan-3-yl)-2-propoxyethanone

1-(5-methyloxolan-3-yl)-2-propoxyethanone (PubChem CID 115783118) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-2-propoxyethanone
PubChem CID115783118
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(5-methyloxolan-3-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1COC(C)C1
InChIInChI=1S/C10H18O3/c1-3-4-12-7-10(11)9-5-8(2)13-6-9/h8-9H,3-7H2,1-2H3
InChIKeyHSXBOZZDMHGNPJ-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methyloxolane-3-carboxylate
CID 114826154
1-(5-methyloxolan-3-yl)but-3-en-1-one
CID 114964274
1-(4,4-dimethylcyclohexyl)-2-propoxyethanone
CID 79567432
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
CID 114823271
N-(2-bromoethyl)-N-butyl-5-methyloxolane-3-carboxamide
CID 114823135
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-propoxyethanone
CID 79922148
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
CID 114823373
N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
CID 114823097
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-2-propoxyethanone?
The IUPAC name of 1-(5-methyloxolan-3-yl)-2-propoxyethanone (CID 115783118) is 1-(5-methyloxolan-3-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-2-propoxyethanone?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-2-propoxyethanone is CCCOCC(=O)C1COC(C)C1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-2-propoxyethanone?
The InChIKey is HSXBOZZDMHGNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-12-7-10(11)9-5-8(2)13-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-2-propoxyethanone?
1-(5-methyloxolan-3-yl)-2-propoxyethanone has a molecular weight of 186.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-2-propoxyethanone is sourced from PubChem (CID 115783118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).