2-[1-(methoxymethoxy)undecyl]oxolane

C17H34O3 — CID 87669321

IUPAC2-[1-(methoxymethoxy)undecyl]oxolane
SMILESCCCCCCCCCCC(OCOC)C1CCCO1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-12-17(20-15-18-2)16-13-11-14-19-16/h16-17H,3-15H2,1-2H3
InChIKeySPOBVQYQSOCRQD-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.69
Rot. Bonds13

About 2-[1-(methoxymethoxy)undecyl]oxolane

2-[1-(methoxymethoxy)undecyl]oxolane (PubChem CID 87669321) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[1-(methoxymethoxy)undecyl]oxolane.

Molecular Properties

Compound Name2-[1-(methoxymethoxy)undecyl]oxolane
PubChem CID87669321
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-[1-(methoxymethoxy)undecyl]oxolane
SMILESCCCCCCCCCCC(OCOC)C1CCCO1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-12-17(20-15-18-2)16-13-11-14-19-16/h16-17H,3-15H2,1-2H3
InChIKeySPOBVQYQSOCRQD-UHFFFAOYSA-N
XLogP4.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-(methoxymethoxy)undecyl]oxolane 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

2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-(methoxymethoxy)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptan-4-ol
CID 89207908
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
2-(1-tetradecoxyicosyl)oxirane
CID 88767792
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
2-heptan-2-yloxane
CID 67835602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethoxy)undecyl]oxolane?
The IUPAC name of 2-[1-(methoxymethoxy)undecyl]oxolane (CID 87669321) is 2-[1-(methoxymethoxy)undecyl]oxolane.
What is the SMILES notation for 2-[1-(methoxymethoxy)undecyl]oxolane?
The canonical SMILES for 2-[1-(methoxymethoxy)undecyl]oxolane is CCCCCCCCCCC(OCOC)C1CCCO1.
What is the InChIKey of 2-[1-(methoxymethoxy)undecyl]oxolane?
The InChIKey is SPOBVQYQSOCRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-12-17(20-15-18-2)16-13-11-14-19-16/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-[1-(methoxymethoxy)undecyl]oxolane?
2-[1-(methoxymethoxy)undecyl]oxolane has a molecular weight of 286.46 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethoxy)undecyl]oxolane is sourced from PubChem (CID 87669321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).