1-chloro-8-[(2-methylpropan-2-yl)oxy]octane

C12H25ClO — CID 14157602

IUPAC1-chloro-8-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)OCCCCCCCCCl
InChIInChI=1S/C12H25ClO/c1-12(2,3)14-11-9-7-5-4-6-8-10-13/h4-11H2,1-3H3
InChIKeyYVOFHJLUYJIEJB-UHFFFAOYSA-N
MW220.78 g/mol
LogP4.38
Rot. Bonds8

About 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane

1-chloro-8-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 14157602) has the molecular formula C12H25ClO and a molecular weight of 220.78 g/mol. Its IUPAC name is 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound Name1-chloro-8-[(2-methylpropan-2-yl)oxy]octane
PubChem CID14157602
Molecular FormulaC12H25ClO
Molecular Weight220.78 g/mol
Exact Mass220.16
IUPAC Name1-chloro-8-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)OCCCCCCCCCl
InChIInChI=1S/C12H25ClO/c1-12(2,3)14-11-9-7-5-4-6-8-10-13/h4-11H2,1-3H3
InChIKeyYVOFHJLUYJIEJB-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.78
LogP ≤ 54.38
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 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane?
The IUPAC name of 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane (CID 14157602) is 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane.
What is the SMILES notation for 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane?
The canonical SMILES for 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane is CC(C)(C)OCCCCCCCCCl.
What is the InChIKey of 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane?
The InChIKey is YVOFHJLUYJIEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO/c1-12(2,3)14-11-9-7-5-4-6-8-10-13/h4-11H2,1-3H3.
What are the key properties of 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane?
1-chloro-8-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 220.78 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 14157602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).