2,2,3,10-tetramethyldodecane

C16H34 — CID 123238890

IUPAC2,2,3,10-tetramethyldodecane
SMILESCCC(C)CCCCCCC(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyVMNHRBROUHLZNM-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds8

About 2,2,3,10-tetramethyldodecane

2,2,3,10-tetramethyldodecane (PubChem CID 123238890) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,10-tetramethyldodecane.

Molecular Properties

Compound Name2,2,3,10-tetramethyldodecane
PubChem CID123238890
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,3,10-tetramethyldodecane
SMILESCCC(C)CCCCCCC(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyVMNHRBROUHLZNM-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
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

2,2,3-trimethylundecane
CID 21285055
2,2,13-trimethylpentadecane
CID 150334228
2,3,9-trimethylundecane
CID 57491510
2,3-dimethylbutane;3-methylundecane
CID 173307544
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
(3R)-3-methyltetracosane
CID 162842417
3-methyldodecane
CID 28469
3,5,5,6,10-pentamethyldodecane
CID 91028841
2,8-dimethyldecan-2-ol
CID 122367233
(3R,7R)-3,7-dimethylnonane
CID 42626759

Frequently Asked Questions

What is the IUPAC name of 2,2,3,10-tetramethyldodecane?
The IUPAC name of 2,2,3,10-tetramethyldodecane (CID 123238890) is 2,2,3,10-tetramethyldodecane.
What is the SMILES notation for 2,2,3,10-tetramethyldodecane?
The canonical SMILES for 2,2,3,10-tetramethyldodecane is CCC(C)CCCCCCC(C)C(C)(C)C.
What is the InChIKey of 2,2,3,10-tetramethyldodecane?
The InChIKey is VMNHRBROUHLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 2,2,3,10-tetramethyldodecane?
2,2,3,10-tetramethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,10-tetramethyldodecane is sourced from PubChem (CID 123238890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).