1-propan-2-yloxyheptane

C10H22O — CID 12838325

IUPAC1-propan-2-yloxyheptane
SMILESCCCCCCCOC(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-8-9-11-10(2)3/h10H,4-9H2,1-3H3
InChIKeyWIIUCLUZPJEOKZ-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds7

About 1-propan-2-yloxyheptane

1-propan-2-yloxyheptane (PubChem CID 12838325) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 1-propan-2-yloxyheptane.

Molecular Properties

Compound Name1-propan-2-yloxyheptane
PubChem CID12838325
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name1-propan-2-yloxyheptane
SMILESCCCCCCCOC(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-8-9-11-10(2)3/h10H,4-9H2,1-3H3
InChIKeyWIIUCLUZPJEOKZ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
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-yloxyheptane?
The IUPAC name of 1-propan-2-yloxyheptane (CID 12838325) is 1-propan-2-yloxyheptane.
What is the SMILES notation for 1-propan-2-yloxyheptane?
The canonical SMILES for 1-propan-2-yloxyheptane is CCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxyheptane?
The InChIKey is WIIUCLUZPJEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-5-6-7-8-9-11-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-propan-2-yloxyheptane?
1-propan-2-yloxyheptane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyheptane is sourced from PubChem (CID 12838325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).