2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane

C23H48 — CID 123662569

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane
SMILESCCCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C23H48/c1-15-16-17-19(5,6)21(9,10)23(13,14)22(11,12)20(7,8)18(2,3)4/h15-17H2,1-14H3
InChIKeyTVHUJDNCUMHJTK-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.35
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane

2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane (PubChem CID 123662569) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane
PubChem CID123662569
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane
SMILESCCCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C23H48/c1-15-16-17-19(5,6)21(9,10)23(13,14)22(11,12)20(7,8)18(2,3)4/h15-17H2,1-14H3
InChIKeyTVHUJDNCUMHJTK-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5,5,6,6-tetramethyltridecane
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2,2,4,4,5,5,6,6,7,7,8,8-dodecamethylpentadecan-3-one
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4-ethyl-4,5,5-trimethylnonane
CID 57492041
2,2-dimethylhexane
CID 169424592
ethane;2-fluoro-2-methylhexane
CID 142890341
azane;2,2-dimethylhexane
CID 161105081
11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
CID 141086916
3,3-dimethyloctane-2,2-diol
CID 175169414
2-chloro-2-methylhexane;cyclobutane
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CID 139399706

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane (CID 123662569) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane is CCCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane?
The InChIKey is TVHUJDNCUMHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-15-16-17-19(5,6)21(9,10)23(13,14)22(11,12)20(7,8)18(2,3)4/h15-17H2,1-14H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane?
2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane has a molecular weight of 324.64 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane is sourced from PubChem (CID 123662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).