3-ethyl-2-methylpentane

C8H17+ — CID 90737744

IUPAC3-ethyl-2-methylpentane
SMILESC[CH+]C(CC)C(C)C
InChIInChI=1S/C8H17/c1-5-8(6-2)7(3)4/h5,7-8H,6H2,1-4H3/q+1
InChIKeySZHBRTYVHRBBDS-UHFFFAOYSA-N
MW113.22 g/mol
LogP2.89
Rot. Bonds3

About 3-ethyl-2-methylpentane

3-ethyl-2-methylpentane (PubChem CID 90737744) has the molecular formula C8H17+ and a molecular weight of 113.22 g/mol. Its IUPAC name is 3-ethyl-2-methylpentane.

Molecular Properties

Compound Name3-ethyl-2-methylpentane
PubChem CID90737744
Molecular FormulaC8H17+
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name3-ethyl-2-methylpentane
SMILESC[CH+]C(CC)C(C)C
InChIInChI=1S/C8H17/c1-5-8(6-2)7(3)4/h5,7-8H,6H2,1-4H3/q+1
InChIKeySZHBRTYVHRBBDS-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentane?
The IUPAC name of 3-ethyl-2-methylpentane (CID 90737744) is 3-ethyl-2-methylpentane.
What is the SMILES notation for 3-ethyl-2-methylpentane?
The canonical SMILES for 3-ethyl-2-methylpentane is C[CH+]C(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methylpentane?
The InChIKey is SZHBRTYVHRBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17/c1-5-8(6-2)7(3)4/h5,7-8H,6H2,1-4H3/q+1.
What are the key properties of 3-ethyl-2-methylpentane?
3-ethyl-2-methylpentane has a molecular weight of 113.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentane is sourced from PubChem (CID 90737744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).