3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane

C10H19ClO — CID 165446161

IUPAC3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)CC1(CCl)CCOC1
InChIInChI=1S/C10H19ClO/c1-9(2,3)6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3
InChIKeyKXMGBLZKWXDPCS-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.07
Rot. Bonds2

About 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane

3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane (PubChem CID 165446161) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
PubChem CID165446161
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)CC1(CCl)CCOC1
InChIInChI=1S/C10H19ClO/c1-9(2,3)6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3
InChIKeyKXMGBLZKWXDPCS-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
3-(chloromethyl)-3-(2-propan-2-yloxyethyl)oxolane
CID 66035244
3-(chloromethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane
CID 66034349
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
4-(chloromethyl)-4-(2-methylpropyl)oxane
CID 66034418
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169306148
1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
CID 157115340
3-(chloromethyl)-3-[(2,5-dimethylphenyl)methyl]oxolane
CID 66036150
3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
CID 66033453
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane?
The IUPAC name of 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane (CID 165446161) is 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane is CC(C)(C)CC1(CCl)CCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane?
The InChIKey is KXMGBLZKWXDPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(2,3)6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane?
3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane has a molecular weight of 190.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane is sourced from PubChem (CID 165446161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).