1-butoxy-5-methyl-5-propan-2-yloxyheptane

C15H32O2 — CID 54536815

IUPAC1-butoxy-5-methyl-5-propan-2-yloxyheptane
SMILESCCCCOCCCCC(C)(CC)OC(C)C
InChIInChI=1S/C15H32O2/c1-6-8-12-16-13-10-9-11-15(5,7-2)17-14(3)4/h14H,6-13H2,1-5H3
InChIKeyBNKARYSWSZCQCP-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.57
Rot. Bonds11

About 1-butoxy-5-methyl-5-propan-2-yloxyheptane

1-butoxy-5-methyl-5-propan-2-yloxyheptane (PubChem CID 54536815) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-butoxy-5-methyl-5-propan-2-yloxyheptane.

Molecular Properties

Compound Name1-butoxy-5-methyl-5-propan-2-yloxyheptane
PubChem CID54536815
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-butoxy-5-methyl-5-propan-2-yloxyheptane
SMILESCCCCOCCCCC(C)(CC)OC(C)C
InChIInChI=1S/C15H32O2/c1-6-8-12-16-13-10-9-11-15(5,7-2)17-14(3)4/h14H,6-13H2,1-5H3
InChIKeyBNKARYSWSZCQCP-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butoxy-5-methyl-5-propan-2-yloxyheptane?
The IUPAC name of 1-butoxy-5-methyl-5-propan-2-yloxyheptane (CID 54536815) is 1-butoxy-5-methyl-5-propan-2-yloxyheptane.
What is the SMILES notation for 1-butoxy-5-methyl-5-propan-2-yloxyheptane?
The canonical SMILES for 1-butoxy-5-methyl-5-propan-2-yloxyheptane is CCCCOCCCCC(C)(CC)OC(C)C.
What is the InChIKey of 1-butoxy-5-methyl-5-propan-2-yloxyheptane?
The InChIKey is BNKARYSWSZCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-6-8-12-16-13-10-9-11-15(5,7-2)17-14(3)4/h14H,6-13H2,1-5H3.
What are the key properties of 1-butoxy-5-methyl-5-propan-2-yloxyheptane?
1-butoxy-5-methyl-5-propan-2-yloxyheptane has a molecular weight of 244.42 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-5-methyl-5-propan-2-yloxyheptane is sourced from PubChem (CID 54536815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).