3-ethyl-3-methylpentane

C8H17+ — CID 123910004

IUPAC3-ethyl-3-methylpentane
SMILESC[CH+]C(C)(CC)CC
InChIInChI=1S/C8H17/c1-5-8(4,6-2)7-3/h5H,6-7H2,1-4H3/q+1
InChIKeyWEBUVFKNZDDTOP-UHFFFAOYSA-N
MW113.22 g/mol
LogP3.04
Rot. Bonds3

About 3-ethyl-3-methylpentane

3-ethyl-3-methylpentane (PubChem CID 123910004) has the molecular formula C8H17+ and a molecular weight of 113.22 g/mol. Its IUPAC name is 3-ethyl-3-methylpentane.

Molecular Properties

Compound Name3-ethyl-3-methylpentane
PubChem CID123910004
Molecular FormulaC8H17+
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name3-ethyl-3-methylpentane
SMILESC[CH+]C(C)(CC)CC
InChIInChI=1S/C8H17/c1-5-8(4,6-2)7-3/h5H,6-7H2,1-4H3/q+1
InChIKeyWEBUVFKNZDDTOP-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.22
LogP ≤ 53.04
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-dimethylpentane;propane
CID 90942978
2-methylbutan-2-amine;propane
CID 91035545
tris(2-methylbutan-2-yloxy)alumane
CID 18974578
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
bis(2-methylpropan-2-amine);propane
CID 160822364
2-aminobutan-2-ol;propane
CID 174346487
3-ethyl-N-fluoropentan-3-amine
CID 174917156
2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
lithium;2,2-dimethylbutane;hydride
CID 174323452

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylpentane?
The IUPAC name of 3-ethyl-3-methylpentane (CID 123910004) is 3-ethyl-3-methylpentane.
What is the SMILES notation for 3-ethyl-3-methylpentane?
The canonical SMILES for 3-ethyl-3-methylpentane is C[CH+]C(C)(CC)CC.
What is the InChIKey of 3-ethyl-3-methylpentane?
The InChIKey is WEBUVFKNZDDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17/c1-5-8(4,6-2)7-3/h5H,6-7H2,1-4H3/q+1.
What are the key properties of 3-ethyl-3-methylpentane?
3-ethyl-3-methylpentane has a molecular weight of 113.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylpentane is sourced from PubChem (CID 123910004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).