1-(2-methylbutan-2-yloxy)pentane

C10H22O — CID 54156519

IUPAC1-(2-methylbutan-2-yloxy)pentane
SMILESCCCCCOC(C)(C)CC
InChIInChI=1S/C10H22O/c1-5-7-8-9-11-10(3,4)6-2/h5-9H2,1-4H3
InChIKeyKFSYJTMPRJSZHA-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-methylbutan-2-yloxy)pentane

1-(2-methylbutan-2-yloxy)pentane (PubChem CID 54156519) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)pentane.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)pentane
PubChem CID54156519
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name1-(2-methylbutan-2-yloxy)pentane
SMILESCCCCCOC(C)(C)CC
InChIInChI=1S/C10H22O/c1-5-7-8-9-11-10(3,4)6-2/h5-9H2,1-4H3
InChIKeyKFSYJTMPRJSZHA-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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-(2-methylbutan-2-yloxy)pentane?
The IUPAC name of 1-(2-methylbutan-2-yloxy)pentane (CID 54156519) is 1-(2-methylbutan-2-yloxy)pentane.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)pentane?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)pentane is CCCCCOC(C)(C)CC.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)pentane?
The InChIKey is KFSYJTMPRJSZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-8-9-11-10(3,4)6-2/h5-9H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)pentane?
1-(2-methylbutan-2-yloxy)pentane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)pentane is sourced from PubChem (CID 54156519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).