3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane

C12H21ClO — CID 104510655

IUPAC3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
SMILESCCC(C)C1(CCl)CCOC1C1CC1
InChIInChI=1S/C12H21ClO/c1-3-9(2)12(8-13)6-7-14-11(12)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyYRIXORWENUMGAN-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.46
Rot. Bonds4

About 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane

3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane (PubChem CID 104510655) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane.

Molecular Properties

Compound Name3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
PubChem CID104510655
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
SMILESCCC(C)C1(CCl)CCOC1C1CC1
InChIInChI=1S/C12H21ClO/c1-3-9(2)12(8-13)6-7-14-11(12)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyYRIXORWENUMGAN-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.46
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

N-[(3-butan-2-yl-2-cyclopropyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 113420879
1-(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)-N-methylmethanamine
CID 107897605
N-[(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)methyl]ethanamine
CID 114013911
N-[(2-cyclopropyl-3-propan-2-yloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 104510040
3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
CID 107893311
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-N-ethyl-3-methyloxolan-3-amine
CID 131155789
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
CID 104510505
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane?
The IUPAC name of 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane (CID 104510655) is 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane.
What is the SMILES notation for 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane?
The canonical SMILES for 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane is CCC(C)C1(CCl)CCOC1C1CC1.
What is the InChIKey of 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane?
The InChIKey is YRIXORWENUMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-3-9(2)12(8-13)6-7-14-11(12)10-4-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane?
3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane has a molecular weight of 216.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane is sourced from PubChem (CID 104510655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).