6-methyl-1-propan-2-yloxyheptane

C11H24O — CID 22986982

IUPAC6-methyl-1-propan-2-yloxyheptane
SMILESCC(C)CCCCCOC(C)C
InChIInChI=1S/C11H24O/c1-10(2)8-6-5-7-9-12-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyPXYRPVMFSXABJP-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds7

About 6-methyl-1-propan-2-yloxyheptane

6-methyl-1-propan-2-yloxyheptane (PubChem CID 22986982) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yloxyheptane.

Molecular Properties

Compound Name6-methyl-1-propan-2-yloxyheptane
PubChem CID22986982
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name6-methyl-1-propan-2-yloxyheptane
SMILESCC(C)CCCCCOC(C)C
InChIInChI=1S/C11H24O/c1-10(2)8-6-5-7-9-12-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyPXYRPVMFSXABJP-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
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 6-methyl-1-propan-2-yloxyheptane?
The IUPAC name of 6-methyl-1-propan-2-yloxyheptane (CID 22986982) is 6-methyl-1-propan-2-yloxyheptane.
What is the SMILES notation for 6-methyl-1-propan-2-yloxyheptane?
The canonical SMILES for 6-methyl-1-propan-2-yloxyheptane is CC(C)CCCCCOC(C)C.
What is the InChIKey of 6-methyl-1-propan-2-yloxyheptane?
The InChIKey is PXYRPVMFSXABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-10(2)8-6-5-7-9-12-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 6-methyl-1-propan-2-yloxyheptane?
6-methyl-1-propan-2-yloxyheptane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yloxyheptane is sourced from PubChem (CID 22986982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).