5-ethyl-2,2,3-trimethylheptane

C12H26 — CID 545799

IUPAC5-ethyl-2,2,3-trimethylheptane
SMILESCCC(CC)CC(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOOIGDPTZPWRGHN-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds4

About 5-ethyl-2,2,3-trimethylheptane

5-ethyl-2,2,3-trimethylheptane (PubChem CID 545799) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 5-ethyl-2,2,3-trimethylheptane.

Molecular Properties

Compound Name5-ethyl-2,2,3-trimethylheptane
PubChem CID545799
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name5-ethyl-2,2,3-trimethylheptane
SMILESCCC(CC)CC(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOOIGDPTZPWRGHN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,3-trimethylheptane?
The IUPAC name of 5-ethyl-2,2,3-trimethylheptane (CID 545799) is 5-ethyl-2,2,3-trimethylheptane.
What is the SMILES notation for 5-ethyl-2,2,3-trimethylheptane?
The canonical SMILES for 5-ethyl-2,2,3-trimethylheptane is CCC(CC)CC(C)C(C)(C)C.
What is the InChIKey of 5-ethyl-2,2,3-trimethylheptane?
The InChIKey is OOIGDPTZPWRGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 5-ethyl-2,2,3-trimethylheptane?
5-ethyl-2,2,3-trimethylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 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-trimethylheptane is sourced from PubChem (CID 545799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).