2,3,4,4-tetramethylhexane

C10H21- — CID 91517327

IUPAC2,3,4,4-tetramethylhexane
SMILESC[CH-]C(C)(C)C(C)C(C)C
InChIInChI=1S/C10H21/c1-7-10(5,6)9(4)8(2)3/h7-9H,1-6H3/q-1
InChIKeyTYFMHUWVZGEMNC-UHFFFAOYSA-N
MW141.28 g/mol
LogP3.53
Rot. Bonds3

About 2,3,4,4-tetramethylhexane

2,3,4,4-tetramethylhexane (PubChem CID 91517327) has the molecular formula C10H21- and a molecular weight of 141.28 g/mol. Its IUPAC name is 2,3,4,4-tetramethylhexane.

Molecular Properties

Compound Name2,3,4,4-tetramethylhexane
PubChem CID91517327
Molecular FormulaC10H21-
Molecular Weight141.28 g/mol
Exact Mass141.16
IUPAC Name2,3,4,4-tetramethylhexane
SMILESC[CH-]C(C)(C)C(C)C(C)C
InChIInChI=1S/C10H21/c1-7-10(5,6)9(4)8(2)3/h7-9H,1-6H3/q-1
InChIKeyTYFMHUWVZGEMNC-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4-trimethylhexane
CID 91202798
2,3,3,4,5-pentamethylhexane
CID 21040423
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
2,2,3,3,5,5,6,7-octamethyloctan-4-amine
CID 155428317
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
3,4,5-trimethylhexane-2,3-diol
CID 67159638
1,2,3-trimethyl-1-(2,3,4,5-tetramethylhexan-3-yl)cyclopropane
CID 123274929
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
3,3-dimethylbutan-2-olate
CID 59342742
3,3-dimethylbutan-2-ylphosphane
CID 57029329

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethylhexane?
The IUPAC name of 2,3,4,4-tetramethylhexane (CID 91517327) is 2,3,4,4-tetramethylhexane.
What is the SMILES notation for 2,3,4,4-tetramethylhexane?
The canonical SMILES for 2,3,4,4-tetramethylhexane is C[CH-]C(C)(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,4-tetramethylhexane?
The InChIKey is TYFMHUWVZGEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21/c1-7-10(5,6)9(4)8(2)3/h7-9H,1-6H3/q-1.
What are the key properties of 2,3,4,4-tetramethylhexane?
2,3,4,4-tetramethylhexane has a molecular weight of 141.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethylhexane is sourced from PubChem (CID 91517327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).