1-butan-2-yloxy-6-chlorohexane

C10H21ClO — CID 62227250

IUPAC1-butan-2-yloxy-6-chlorohexane
SMILESCCC(C)OCCCCCCCl
InChIInChI=1S/C10H21ClO/c1-3-10(2)12-9-7-5-4-6-8-11/h10H,3-9H2,1-2H3
InChIKeySOYHAYZBRHDILL-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.60
Rot. Bonds8

About 1-butan-2-yloxy-6-chlorohexane

1-butan-2-yloxy-6-chlorohexane (PubChem CID 62227250) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-butan-2-yloxy-6-chlorohexane.

Molecular Properties

Compound Name1-butan-2-yloxy-6-chlorohexane
PubChem CID62227250
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-butan-2-yloxy-6-chlorohexane
SMILESCCC(C)OCCCCCCCl
InChIInChI=1S/C10H21ClO/c1-3-10(2)12-9-7-5-4-6-8-11/h10H,3-9H2,1-2H3
InChIKeySOYHAYZBRHDILL-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.60
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-butan-2-yloxy-6-chlorohexane?
The IUPAC name of 1-butan-2-yloxy-6-chlorohexane (CID 62227250) is 1-butan-2-yloxy-6-chlorohexane.
What is the SMILES notation for 1-butan-2-yloxy-6-chlorohexane?
The canonical SMILES for 1-butan-2-yloxy-6-chlorohexane is CCC(C)OCCCCCCCl.
What is the InChIKey of 1-butan-2-yloxy-6-chlorohexane?
The InChIKey is SOYHAYZBRHDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-3-10(2)12-9-7-5-4-6-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-6-chlorohexane?
1-butan-2-yloxy-6-chlorohexane has a molecular weight of 192.73 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-6-chlorohexane is sourced from PubChem (CID 62227250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).