2,2,3,4-tetramethylhexane

C10H21- — CID 91324153

IUPAC2,2,3,4-tetramethylhexane
SMILES[CH2-]CC(C)C(C)C(C)(C)C
InChIInChI=1S/C10H21/c1-7-8(2)9(3)10(4,5)6/h8-9H,1,7H2,2-6H3/q-1
InChIKeyKRBVQSKNSAGVRZ-UHFFFAOYSA-N
MW141.28 g/mol
LogP3.53
Rot. Bonds2

About 2,2,3,4-tetramethylhexane

2,2,3,4-tetramethylhexane (PubChem CID 91324153) has the molecular formula C10H21- and a molecular weight of 141.28 g/mol. Its IUPAC name is 2,2,3,4-tetramethylhexane.

Molecular Properties

Compound Name2,2,3,4-tetramethylhexane
PubChem CID91324153
Molecular FormulaC10H21-
Molecular Weight141.28 g/mol
Exact Mass141.16
IUPAC Name2,2,3,4-tetramethylhexane
SMILES[CH2-]CC(C)C(C)C(C)(C)C
InChIInChI=1S/C10H21/c1-7-8(2)9(3)10(4,5)6/h8-9H,1,7H2,2-6H3/q-1
InChIKeyKRBVQSKNSAGVRZ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

1-chloro-2,3,4,4-tetramethylpentane
CID 54014199
2,2,3,4,6-pentamethyloctane
CID 57491075
2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 149345110
2,2,3,4,5-pentamethylheptane
CID 53428630
2,2,3,4,4,7,8-heptamethylnonane
CID 123795211
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
2-methanidyl-2,3-dimethylpentane;yttrium
CID 59936571
2,3,4,5,6,7,8,9,9-nonamethyldecan-1-amine
CID 146383769
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
bis(2-methylbutane);yttrium
CID 140616958
2,2,4,6-tetramethylheptan-3-ol
CID 89214446

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethylhexane?
The IUPAC name of 2,2,3,4-tetramethylhexane (CID 91324153) is 2,2,3,4-tetramethylhexane.
What is the SMILES notation for 2,2,3,4-tetramethylhexane?
The canonical SMILES for 2,2,3,4-tetramethylhexane is [CH2-]CC(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4-tetramethylhexane?
The InChIKey is KRBVQSKNSAGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21/c1-7-8(2)9(3)10(4,5)6/h8-9H,1,7H2,2-6H3/q-1.
What are the key properties of 2,2,3,4-tetramethylhexane?
2,2,3,4-tetramethylhexane has a molecular weight of 141.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethylhexane is sourced from PubChem (CID 91324153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).