2-chloro-5-methyl-3-pentyloxane

C11H21ClO — CID 23124332

IUPAC2-chloro-5-methyl-3-pentyloxane
SMILESCCCCCC1CC(C)COC1Cl
InChIInChI=1S/C11H21ClO/c1-3-4-5-6-10-7-9(2)8-13-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyAYBLKPFOWWFESG-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-5-methyl-3-pentyloxane

2-chloro-5-methyl-3-pentyloxane (PubChem CID 23124332) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-pentyloxane.

Molecular Properties

Compound Name2-chloro-5-methyl-3-pentyloxane
PubChem CID23124332
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name2-chloro-5-methyl-3-pentyloxane
SMILESCCCCCC1CC(C)COC1Cl
InChIInChI=1S/C11H21ClO/c1-3-4-5-6-10-7-9(2)8-13-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyAYBLKPFOWWFESG-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-pentyloxane?
The IUPAC name of 2-chloro-5-methyl-3-pentyloxane (CID 23124332) is 2-chloro-5-methyl-3-pentyloxane.
What is the SMILES notation for 2-chloro-5-methyl-3-pentyloxane?
The canonical SMILES for 2-chloro-5-methyl-3-pentyloxane is CCCCCC1CC(C)COC1Cl.
What is the InChIKey of 2-chloro-5-methyl-3-pentyloxane?
The InChIKey is AYBLKPFOWWFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-3-4-5-6-10-7-9(2)8-13-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-3-pentyloxane?
2-chloro-5-methyl-3-pentyloxane has a molecular weight of 204.74 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-pentyloxane is sourced from PubChem (CID 23124332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).