4-tert-butyl-6,6-dimethyldecane

C16H34 — CID 173185098

IUPAC4-tert-butyl-6,6-dimethyldecane
SMILESCCCCC(C)(C)CC(CCC)C(C)(C)C
InChIInChI=1S/C16H34/c1-8-10-12-16(6,7)13-14(11-9-2)15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyGLSLVJZYMOTANK-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds7

About 4-tert-butyl-6,6-dimethyldecane

4-tert-butyl-6,6-dimethyldecane (PubChem CID 173185098) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4-tert-butyl-6,6-dimethyldecane.

Molecular Properties

Compound Name4-tert-butyl-6,6-dimethyldecane
PubChem CID173185098
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name4-tert-butyl-6,6-dimethyldecane
SMILESCCCCC(C)(C)CC(CCC)C(C)(C)C
InChIInChI=1S/C16H34/c1-8-10-12-16(6,7)13-14(11-9-2)15(3,4)5/h14H,8-13H2,1-7H3
InChIKeyGLSLVJZYMOTANK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6,6-trimethyl-4-propyldecane
CID 173296569
4-tert-butyl-2-methoxy-2-methylheptane
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2-chloro-4,4-dimethyloctane
CID 64718117
4,6,6-trimethyldodecane
CID 123621829
3-ethyl-2,2-dimethylheptane
CID 20686447
6-tert-butylundecane
CID 90714582
5,5-dimethylnonane;5-methylnonane
CID 158755954
6,6,8-trimethyltridecane
CID 123736183
azane;5-butyl-5-chloro-6-propyldecane
CID 88839354
9-tert-butylhenicosane
CID 150708915
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
pentane;7,7,9-trimethylpentadecane
CID 161309819

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,6-dimethyldecane?
The IUPAC name of 4-tert-butyl-6,6-dimethyldecane (CID 173185098) is 4-tert-butyl-6,6-dimethyldecane.
What is the SMILES notation for 4-tert-butyl-6,6-dimethyldecane?
The canonical SMILES for 4-tert-butyl-6,6-dimethyldecane is CCCCC(C)(C)CC(CCC)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-6,6-dimethyldecane?
The InChIKey is GLSLVJZYMOTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-10-12-16(6,7)13-14(11-9-2)15(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of 4-tert-butyl-6,6-dimethyldecane?
4-tert-butyl-6,6-dimethyldecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,6-dimethyldecane is sourced from PubChem (CID 173185098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).