2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane

C15H34O2 — CID 87852873

IUPAC2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.CCC(C)(C)O
InChIInChI=1S/C10H22O.C5H12O/c1-9(2)5-7-11-8-6-10(3)4;1-4-5(2,3)6/h9-10H,5-8H2,1-4H3;6H,4H2,1-3H3
InChIKeyRYCZTPCAAMVWMQ-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.26
Rot. Bonds7

About 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane

2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane (PubChem CID 87852873) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Name2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane
PubChem CID87852873
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Name2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.CCC(C)(C)O
InChIInChI=1S/C10H22O.C5H12O/c1-9(2)5-7-11-8-6-10(3)4;1-4-5(2,3)6/h9-10H,5-8H2,1-4H3;6H,4H2,1-3H3
InChIKeyRYCZTPCAAMVWMQ-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
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 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane (CID 87852873) is 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane is CC(C)CCOCCC(C)C.CCC(C)(C)O.
What is the InChIKey of 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is RYCZTPCAAMVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C5H12O/c1-9(2)5-7-11-8-6-10(3)4;1-4-5(2,3)6/h9-10H,5-8H2,1-4H3;6H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane?
2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 246.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol;3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 87852873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).