6-tert-butylundecane

C15H32 — CID 90714582

IUPAC6-tert-butylundecane
SMILESCCCCCC(CCCCC)C(C)(C)C
InChIInChI=1S/C15H32/c1-6-8-10-12-14(15(3,4)5)13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyCBGGBFXGMGERBP-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds8

About 6-tert-butylundecane

6-tert-butylundecane (PubChem CID 90714582) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 6-tert-butylundecane.

Molecular Properties

Compound Name6-tert-butylundecane
PubChem CID90714582
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name6-tert-butylundecane
SMILESCCCCCC(CCCCC)C(C)(C)C
InChIInChI=1S/C15H32/c1-6-8-10-12-14(15(3,4)5)13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyCBGGBFXGMGERBP-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-tert-butylhenicosane
CID 150708915
9-tert-butyl-14-octyldocosane
CID 166495626
4-tert-butyldecane-1-thiol
CID 88900785
azane;(9Z,29Z)-19-tert-butyloctatriaconta-9,29-diene
CID 175292627
3-ethyl-2,2-dimethylheptane
CID 20686447
9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
CID 165097427
4-tert-butylundecanoic acid
CID 175010843
5-tert-butylnonane;7-tert-butyltridecane;5-tert-butylundecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;3-ethyl-2,2-dimethylheptane
CID 157082201
N,2-ditert-butyldodecan-1-amine
CID 83141382
N,2-ditert-butylundecan-1-amine
CID 83138846
3-hexyl-2-methylundecan-2-amine
CID 89005835
9-(2-chloropropan-2-yl)heptacosane
CID 151482832

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylundecane?
The IUPAC name of 6-tert-butylundecane (CID 90714582) is 6-tert-butylundecane.
What is the SMILES notation for 6-tert-butylundecane?
The canonical SMILES for 6-tert-butylundecane is CCCCCC(CCCCC)C(C)(C)C.
What is the InChIKey of 6-tert-butylundecane?
The InChIKey is CBGGBFXGMGERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-10-12-14(15(3,4)5)13-11-9-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 6-tert-butylundecane?
6-tert-butylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylundecane is sourced from PubChem (CID 90714582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).