3-[chloro(2-methylbutan-2-yloxy)methyl]pentane

C11H23ClO — CID 23124336

IUPAC3-[chloro(2-methylbutan-2-yloxy)methyl]pentane
SMILESCCC(CC)C(Cl)OC(C)(C)CC
InChIInChI=1S/C11H23ClO/c1-6-9(7-2)10(12)13-11(4,5)8-3/h9-10H,6-8H2,1-5H3
InChIKeyUNDIGGDQLVZJOU-UHFFFAOYSA-N
MW206.76 g/mol
LogP4.19
Rot. Bonds6

About 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane

3-[chloro(2-methylbutan-2-yloxy)methyl]pentane (PubChem CID 23124336) has the molecular formula C11H23ClO and a molecular weight of 206.76 g/mol. Its IUPAC name is 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane.

Molecular Properties

Compound Name3-[chloro(2-methylbutan-2-yloxy)methyl]pentane
PubChem CID23124336
Molecular FormulaC11H23ClO
Molecular Weight206.76 g/mol
Exact Mass206.14
IUPAC Name3-[chloro(2-methylbutan-2-yloxy)methyl]pentane
SMILESCCC(CC)C(Cl)OC(C)(C)CC
InChIInChI=1S/C11H23ClO/c1-6-9(7-2)10(12)13-11(4,5)8-3/h9-10H,6-8H2,1-5H3
InChIKeyUNDIGGDQLVZJOU-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane?
The IUPAC name of 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane (CID 23124336) is 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane.
What is the SMILES notation for 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane?
The canonical SMILES for 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane is CCC(CC)C(Cl)OC(C)(C)CC.
What is the InChIKey of 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane?
The InChIKey is UNDIGGDQLVZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO/c1-6-9(7-2)10(12)13-11(4,5)8-3/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane?
3-[chloro(2-methylbutan-2-yloxy)methyl]pentane has a molecular weight of 206.76 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(2-methylbutan-2-yloxy)methyl]pentane is sourced from PubChem (CID 23124336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).