3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane

C11H19ClO2 — CID 114535731

IUPAC3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
SMILESCC1OCCC1(CCl)CC1CCCO1
InChIInChI=1S/C11H19ClO2/c1-9-11(8-12,4-6-13-9)7-10-3-2-5-14-10/h9-10H,2-8H2,1H3
InChIKeyUTFUPWFBMKZMRJ-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.59
Rot. Bonds3

About 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane

3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane (PubChem CID 114535731) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
PubChem CID114535731
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
SMILESCC1OCCC1(CCl)CC1CCCO1
InChIInChI=1S/C11H19ClO2/c1-9-11(8-12,4-6-13-9)7-10-3-2-5-14-10/h9-10H,2-8H2,1H3
InChIKeyUTFUPWFBMKZMRJ-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
CID 104510565
2-[[4-tert-butyl-1-(chloromethyl)cyclohexyl]methyl]oxolane
CID 66033798
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165282
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane (CID 114535731) is 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane is CC1OCCC1(CCl)CC1CCCO1.
What is the InChIKey of 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane?
The InChIKey is UTFUPWFBMKZMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-9-11(8-12,4-6-13-9)7-10-3-2-5-14-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane?
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane has a molecular weight of 218.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane is sourced from PubChem (CID 114535731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).