3-ethylpentane;2,2,3-trimethylbutane

C14H32 — CID 159696459

IUPAC3-ethylpentane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(CC)CC
InChIInChI=1S/2C7H16/c1-6(2)7(3,4)5;1-4-7(5-2)6-3/h6H,1-5H3;7H,4-6H2,1-3H3
InChIKeyMXBMYDAJDJKUPQ-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.52
Rot. Bonds3

About 3-ethylpentane;2,2,3-trimethylbutane

3-ethylpentane;2,2,3-trimethylbutane (PubChem CID 159696459) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 3-ethylpentane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name3-ethylpentane;2,2,3-trimethylbutane
PubChem CID159696459
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name3-ethylpentane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(CC)CC
InChIInChI=1S/2C7H16/c1-6(2)7(3,4)5;1-4-7(5-2)6-3/h6H,1-5H3;7H,4-6H2,1-3H3
InChIKeyMXBMYDAJDJKUPQ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,3-Trimethylpentane
CID 11215
3-Ethyl-3-methylpentane
CID 14018
2,2,3-Trimethylpentane
CID 11255
2,2,3-Trimethylhexane
CID 28021
2,3,3-Trimethylhexane
CID 28023
2,2,3,4-Tetramethylpentane
CID 14462
3,3-Diethylpentane
CID 14020
3,3,4-Trimethylhexane
CID 28025
Pentane, 3-ethyl-2,3-dimethyl-
CID 28027
3-Ethyl-2,2-dimethylpentane
CID 28026
Pentane, 2,3,3,4-tetramethyl-
CID 28028
2,2,3,3-Tetramethylpentane
CID 92723

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane;2,2,3-trimethylbutane?
The IUPAC name of 3-ethylpentane;2,2,3-trimethylbutane (CID 159696459) is 3-ethylpentane;2,2,3-trimethylbutane.
What is the SMILES notation for 3-ethylpentane;2,2,3-trimethylbutane?
The canonical SMILES for 3-ethylpentane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CCC(CC)CC.
What is the InChIKey of 3-ethylpentane;2,2,3-trimethylbutane?
The InChIKey is MXBMYDAJDJKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16/c1-6(2)7(3,4)5;1-4-7(5-2)6-3/h6H,1-5H3;7H,4-6H2,1-3H3.
What are the key properties of 3-ethylpentane;2,2,3-trimethylbutane?
3-ethylpentane;2,2,3-trimethylbutane has a molecular weight of 200.41 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane;2,2,3-trimethylbutane is sourced from PubChem (CID 159696459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).