1-(4-methylpentan-2-yloxy)octane

C14H30O — CID 19370012

IUPAC1-(4-methylpentan-2-yloxy)octane
SMILESCCCCCCCCOC(C)CC(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-9-10-11-15-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyBOHRAGYFAYJTCK-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.80
Rot. Bonds10

About 1-(4-methylpentan-2-yloxy)octane

1-(4-methylpentan-2-yloxy)octane (PubChem CID 19370012) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)octane.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)octane
PubChem CID19370012
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-(4-methylpentan-2-yloxy)octane
SMILESCCCCCCCCOC(C)CC(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-9-10-11-15-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyBOHRAGYFAYJTCK-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylpentan-2-yloxy)octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)octane?
The IUPAC name of 1-(4-methylpentan-2-yloxy)octane (CID 19370012) is 1-(4-methylpentan-2-yloxy)octane.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)octane?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)octane is CCCCCCCCOC(C)CC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)octane?
The InChIKey is BOHRAGYFAYJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-6-7-8-9-10-11-15-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)octane?
1-(4-methylpentan-2-yloxy)octane has a molecular weight of 214.39 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)octane is sourced from PubChem (CID 19370012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).