2-methoxy-2-methyl-5-undecyloxolan-3-one

C17H32O3 — CID 85405640

IUPAC2-methoxy-2-methyl-5-undecyloxolan-3-one
SMILESCCCCCCCCCCCC1CC(=O)C(C)(OC)O1
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-15-14-16(18)17(2,19-3)20-15/h15H,4-14H2,1-3H3
InChIKeyVTDDQAZZUPRKJW-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.63
Rot. Bonds11

About 2-methoxy-2-methyl-5-undecyloxolan-3-one

2-methoxy-2-methyl-5-undecyloxolan-3-one (PubChem CID 85405640) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methoxy-2-methyl-5-undecyloxolan-3-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-5-undecyloxolan-3-one
PubChem CID85405640
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2-methoxy-2-methyl-5-undecyloxolan-3-one
SMILESCCCCCCCCCCCC1CC(=O)C(C)(OC)O1
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-15-14-16(18)17(2,19-3)20-15/h15H,4-14H2,1-3H3
InChIKeyVTDDQAZZUPRKJW-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-methyl-5-undecyloxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-one
CID 11119635
3(2H)-Furanone, dihydro-2-methyl-5-pentyl-
CID 3085616
2-Methyl-5-pentyloxolan-3-one
CID 21156048
5-Hexyloxolan-3-one
CID 86245995
1-[(4S,5R)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 121224825
2-Undecyloxolan-3-one
CID 134857697
5-[3-(Methoxymethoxy)propyl]oxolan-3-one
CID 134859900
5-Methyl-2-octyl-[2 H]-furan-3-one
CID 85831475
2-Hexadecanone, 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CID 537250
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-heptadecanone
CID 538731
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one
CID 10905066
1-[(4R,5R)-2,2-dimethyl-5-octanoyl-1,3-dioxolan-4-yl]octan-1-one
CID 11602827

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-5-undecyloxolan-3-one?
The IUPAC name of 2-methoxy-2-methyl-5-undecyloxolan-3-one (CID 85405640) is 2-methoxy-2-methyl-5-undecyloxolan-3-one.
What is the SMILES notation for 2-methoxy-2-methyl-5-undecyloxolan-3-one?
The canonical SMILES for 2-methoxy-2-methyl-5-undecyloxolan-3-one is CCCCCCCCCCCC1CC(=O)C(C)(OC)O1.
What is the InChIKey of 2-methoxy-2-methyl-5-undecyloxolan-3-one?
The InChIKey is VTDDQAZZUPRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-15-14-16(18)17(2,19-3)20-15/h15H,4-14H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-5-undecyloxolan-3-one?
2-methoxy-2-methyl-5-undecyloxolan-3-one has a molecular weight of 284.44 g/mol, XLogP of 4.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-5-undecyloxolan-3-one is sourced from PubChem (CID 85405640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).