3-butan-2-yloxy-2,2-dimethylundecane

C17H36O — CID 150049525

IUPAC3-butan-2-yloxy-2,2-dimethylundecane
SMILESCCCCCCCCC(OC(C)CC)C(C)(C)C
InChIInChI=1S/C17H36O/c1-7-9-10-11-12-13-14-16(17(4,5)6)18-15(3)8-2/h15-16H,7-14H2,1-6H3
InChIKeyDKZUTMMMBKGLEH-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.97
Rot. Bonds10

About 3-butan-2-yloxy-2,2-dimethylundecane

3-butan-2-yloxy-2,2-dimethylundecane (PubChem CID 150049525) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 3-butan-2-yloxy-2,2-dimethylundecane.

Molecular Properties

Compound Name3-butan-2-yloxy-2,2-dimethylundecane
PubChem CID150049525
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name3-butan-2-yloxy-2,2-dimethylundecane
SMILESCCCCCCCCC(OC(C)CC)C(C)(C)C
InChIInChI=1S/C17H36O/c1-7-9-10-11-12-13-14-16(17(4,5)6)18-15(3)8-2/h15-16H,7-14H2,1-6H3
InChIKeyDKZUTMMMBKGLEH-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.97
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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Related Compounds

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CID 141041946
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2,2,3-trimethylundecane
CID 21285055
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
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3-icosan-3-yloxyicosane
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3-pentadecan-3-yloxypentadecane
CID 57200588
9-tert-butylhenicosane
CID 150708915
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylbutane;3-methylundecane
CID 173307544
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2,2-dimethylundecane?
The IUPAC name of 3-butan-2-yloxy-2,2-dimethylundecane (CID 150049525) is 3-butan-2-yloxy-2,2-dimethylundecane.
What is the SMILES notation for 3-butan-2-yloxy-2,2-dimethylundecane?
The canonical SMILES for 3-butan-2-yloxy-2,2-dimethylundecane is CCCCCCCCC(OC(C)CC)C(C)(C)C.
What is the InChIKey of 3-butan-2-yloxy-2,2-dimethylundecane?
The InChIKey is DKZUTMMMBKGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-7-9-10-11-12-13-14-16(17(4,5)6)18-15(3)8-2/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-butan-2-yloxy-2,2-dimethylundecane?
3-butan-2-yloxy-2,2-dimethylundecane has a molecular weight of 256.47 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2,2-dimethylundecane is sourced from PubChem (CID 150049525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).