3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol

C15H30O3 — CID 549672

IUPAC3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
SMILESC=C(C)CCOC(C)(C)CCOC(C)(C)CCO
InChIInChI=1S/C15H30O3/c1-13(2)7-11-17-15(5,6)9-12-18-14(3,4)8-10-16/h16H,1,7-12H2,2-6H3
InChIKeyAMHIUBLQGDHLIM-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.32
Rot. Bonds10

About 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol

3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol (PubChem CID 549672) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
PubChem CID549672
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
SMILESC=C(C)CCOC(C)(C)CCOC(C)(C)CCO
InChIInChI=1S/C15H30O3/c1-13(2)7-11-17-15(5,6)9-12-18-14(3,4)8-10-16/h16H,1,7-12H2,2-6H3
InChIKeyAMHIUBLQGDHLIM-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol?
The IUPAC name of 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol (CID 549672) is 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol?
The canonical SMILES for 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol is C=C(C)CCOC(C)(C)CCOC(C)(C)CCO.
What is the InChIKey of 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol?
The InChIKey is AMHIUBLQGDHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-13(2)7-11-17-15(5,6)9-12-18-14(3,4)8-10-16/h16H,1,7-12H2,2-6H3.
What are the key properties of 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol?
3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol is sourced from PubChem (CID 549672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).