2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane

C11H19ClO2 — CID 66343624

IUPAC2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
SMILESCC1(C)C(Cl)CC1OCC1CCCO1
InChIInChI=1S/C11H19ClO2/c1-11(2)9(12)6-10(11)14-7-8-4-3-5-13-8/h8-10H,3-7H2,1-2H3
InChIKeyYCSBTXDTULDYMU-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.59
Rot. Bonds3

About 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane

2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane (PubChem CID 66343624) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
PubChem CID66343624
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
SMILESCC1(C)C(Cl)CC1OCC1CCCO1
InChIInChI=1S/C11H19ClO2/c1-11(2)9(12)6-10(11)14-7-8-4-3-5-13-8/h8-10H,3-7H2,1-2H3
InChIKeyYCSBTXDTULDYMU-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

2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
CID 66343413
2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
CID 66344041
oxolan-2-ylmethyl hypochlorite
CID 22491519
2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxane
CID 66345728
2-[(3-bromospiro[3.4]octan-1-yl)oxymethyl]oxolane
CID 66343412
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
3-(oxolan-2-ylmethoxy)spiro[3.6]decan-1-ol
CID 66368745
3-(oxolan-2-ylmethoxy)oxane
CID 71311379
1-(oxolan-2-ylmethoxy)spiro[3.6]decan-3-one
CID 66368660
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
ethane;oxolan-2-ylmethoxythallium
CID 142985824
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane?
The IUPAC name of 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane (CID 66343624) is 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane?
The canonical SMILES for 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane is CC1(C)C(Cl)CC1OCC1CCCO1.
What is the InChIKey of 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane?
The InChIKey is YCSBTXDTULDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-11(2)9(12)6-10(11)14-7-8-4-3-5-13-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane?
2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]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 2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane is sourced from PubChem (CID 66343624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).