2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane

C10H19ClO2 — CID 71384390

IUPAC2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
SMILESCC(C)CCC(CCl)OCC1CO1
InChIInChI=1S/C10H19ClO2/c1-8(2)3-4-9(5-11)12-6-10-7-13-10/h8-10H,3-7H2,1-2H3
InChIKeyZIPDHSKBKVYIPO-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.45
Rot. Bonds7

About 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane

2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane (PubChem CID 71384390) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
PubChem CID71384390
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
SMILESCC(C)CCC(CCl)OCC1CO1
InChIInChI=1S/C10H19ClO2/c1-8(2)3-4-9(5-11)12-6-10-7-13-10/h8-10H,3-7H2,1-2H3
InChIKeyZIPDHSKBKVYIPO-UHFFFAOYSA-N
XLogP2.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane 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-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
CID 91994198
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane (CID 71384390) is 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane is CC(C)CCC(CCl)OCC1CO1.
What is the InChIKey of 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane?
The InChIKey is ZIPDHSKBKVYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-8(2)3-4-9(5-11)12-6-10-7-13-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane?
2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane has a molecular weight of 206.71 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 71384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).