methyl 2-(oxetan-3-yloxy)hexanoate

C10H18O4 — CID 102605289

IUPACmethyl 2-(oxetan-3-yloxy)hexanoate
SMILESCCCCC(OC1COC1)C(=O)OC
InChIInChI=1S/C10H18O4/c1-3-4-5-9(10(11)12-2)14-8-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyMLMSFFCBBOIGHU-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.13
Rot. Bonds6

About methyl 2-(oxetan-3-yloxy)hexanoate

methyl 2-(oxetan-3-yloxy)hexanoate (PubChem CID 102605289) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-(oxetan-3-yloxy)hexanoate.

Molecular Properties

Compound Namemethyl 2-(oxetan-3-yloxy)hexanoate
PubChem CID102605289
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2-(oxetan-3-yloxy)hexanoate
SMILESCCCCC(OC1COC1)C(=O)OC
InChIInChI=1S/C10H18O4/c1-3-4-5-9(10(11)12-2)14-8-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyMLMSFFCBBOIGHU-UHFFFAOYSA-N
XLogP1.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(oxetan-3-yloxy)hexanoate 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-(oxetan-3-yloxy)hexanoic acid
CID 102605290
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
methyl 2-trimethylsilyloxyhexadecanoate
CID 524469
methyl 2-methoxyheptanoate
CID 87952097
ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172
methyl 2-cyclopropyloxybutanoate
CID 175037887
methyl 2-acetyloxy-10-(2-hexylcyclopropyl)decanoate
CID 544394
methyl (2S)-2-aminohexanoate
CID 7018840
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-[2-[2-[1-(1-methoxy-1-oxohexan-2-yl)oxyhexan-2-yloxy]ethoxy]hexoxy]hexanoate
CID 10459283
methyl (Z)-2-methoxytetradec-6-enoate
CID 11065524
4-(oxetan-3-yloxy)pentanehydrazide
CID 102608445

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxetan-3-yloxy)hexanoate?
The IUPAC name of methyl 2-(oxetan-3-yloxy)hexanoate (CID 102605289) is methyl 2-(oxetan-3-yloxy)hexanoate.
What is the SMILES notation for methyl 2-(oxetan-3-yloxy)hexanoate?
The canonical SMILES for methyl 2-(oxetan-3-yloxy)hexanoate is CCCCC(OC1COC1)C(=O)OC.
What is the InChIKey of methyl 2-(oxetan-3-yloxy)hexanoate?
The InChIKey is MLMSFFCBBOIGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-5-9(10(11)12-2)14-8-6-13-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-(oxetan-3-yloxy)hexanoate?
methyl 2-(oxetan-3-yloxy)hexanoate has a molecular weight of 202.25 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxetan-3-yloxy)hexanoate is sourced from PubChem (CID 102605289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).