1-propan-2-yloxyhexane

C9H20O — CID 538307

IUPAC1-propan-2-yloxyhexane
SMILESCCCCCCOC(C)C
InChIInChI=1S/C9H20O/c1-4-5-6-7-8-10-9(2)3/h9H,4-8H2,1-3H3
InChIKeyRFMZJYFXGWPOSR-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds6

About 1-propan-2-yloxyhexane

1-propan-2-yloxyhexane (PubChem CID 538307) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-propan-2-yloxyhexane.

Molecular Properties

Compound Name1-propan-2-yloxyhexane
PubChem CID538307
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name1-propan-2-yloxyhexane
SMILESCCCCCCOC(C)C
InChIInChI=1S/C9H20O/c1-4-5-6-7-8-10-9(2)3/h9H,4-8H2,1-3H3
InChIKeyRFMZJYFXGWPOSR-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyhexane?
The IUPAC name of 1-propan-2-yloxyhexane (CID 538307) is 1-propan-2-yloxyhexane.
What is the SMILES notation for 1-propan-2-yloxyhexane?
The canonical SMILES for 1-propan-2-yloxyhexane is CCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxyhexane?
The InChIKey is RFMZJYFXGWPOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-5-6-7-8-10-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-propan-2-yloxyhexane?
1-propan-2-yloxyhexane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyhexane is sourced from PubChem (CID 538307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).