5-ethyl-2,2,3,3,5,6-hexamethylheptane

C15H32 — CID 123276351

IUPAC5-ethyl-2,2,3,3,5,6-hexamethylheptane
SMILESCCC(C)(CC(C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32/c1-10-15(9,12(2)3)11-14(7,8)13(4,5)6/h12H,10-11H2,1-9H3
InChIKeyFRBPAFPGESRMID-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds4

About 5-ethyl-2,2,3,3,5,6-hexamethylheptane

5-ethyl-2,2,3,3,5,6-hexamethylheptane (PubChem CID 123276351) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-ethyl-2,2,3,3,5,6-hexamethylheptane.

Molecular Properties

Compound Name5-ethyl-2,2,3,3,5,6-hexamethylheptane
PubChem CID123276351
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-ethyl-2,2,3,3,5,6-hexamethylheptane
SMILESCCC(C)(CC(C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32/c1-10-15(9,12(2)3)11-14(7,8)13(4,5)6/h12H,10-11H2,1-9H3
InChIKeyFRBPAFPGESRMID-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
3-ethyl-2,3,5-trimethylhexane
CID 53428900
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
3-ethyl-2,3,6-trimethylheptane
CID 53428909
methyl 4-ethyl-3-hydroxy-4,6,6,7,7-pentamethyloctanoate
CID 91121326
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
CID 123324624
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
CID 123480533
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
2,2,3,3,5-pentamethyl-5-propan-2-ylsulfanylhexane
CID 126627041

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,3,3,5,6-hexamethylheptane?
The IUPAC name of 5-ethyl-2,2,3,3,5,6-hexamethylheptane (CID 123276351) is 5-ethyl-2,2,3,3,5,6-hexamethylheptane.
What is the SMILES notation for 5-ethyl-2,2,3,3,5,6-hexamethylheptane?
The canonical SMILES for 5-ethyl-2,2,3,3,5,6-hexamethylheptane is CCC(C)(CC(C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of 5-ethyl-2,2,3,3,5,6-hexamethylheptane?
The InChIKey is FRBPAFPGESRMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-10-15(9,12(2)3)11-14(7,8)13(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of 5-ethyl-2,2,3,3,5,6-hexamethylheptane?
5-ethyl-2,2,3,3,5,6-hexamethylheptane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,3,3,5,6-hexamethylheptane is sourced from PubChem (CID 123276351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).