3-ethyl-2,2,4-trimethylheptane

C12H26 — CID 22354769

IUPAC3-ethyl-2,2,4-trimethylheptane
SMILESCCCC(C)C(CC)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-9-10(3)11(8-2)12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyTYGUUZVWCBYDKW-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds4

About 3-ethyl-2,2,4-trimethylheptane

3-ethyl-2,2,4-trimethylheptane (PubChem CID 22354769) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3-ethyl-2,2,4-trimethylheptane.

Molecular Properties

Compound Name3-ethyl-2,2,4-trimethylheptane
PubChem CID22354769
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3-ethyl-2,2,4-trimethylheptane
SMILESCCCC(C)C(CC)C(C)(C)C
InChIInChI=1S/C12H26/c1-7-9-10(3)11(8-2)12(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyTYGUUZVWCBYDKW-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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Related Compounds

5-tert-butyl-4,6-dimethylnonane
CID 91526510
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
7-tert-butyl-4,5-dimethyl-8-propylundecane
CID 123567067
3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
3-fluoro-2,2,4-trimethylheptane
CID 123271530
(3R)-3,4-dimethylheptane
CID 59819300
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
2,4,4,6-tetramethyl-5-propyloctane
CID 123721040
5-ethyl-2,2,6-trimethylnonane
CID 57492048
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,2,5,6-tetramethyl-4-propan-2-ylnonane
CID 123310465
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4-trimethylheptane?
The IUPAC name of 3-ethyl-2,2,4-trimethylheptane (CID 22354769) is 3-ethyl-2,2,4-trimethylheptane.
What is the SMILES notation for 3-ethyl-2,2,4-trimethylheptane?
The canonical SMILES for 3-ethyl-2,2,4-trimethylheptane is CCCC(C)C(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,4-trimethylheptane?
The InChIKey is TYGUUZVWCBYDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-9-10(3)11(8-2)12(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 3-ethyl-2,2,4-trimethylheptane?
3-ethyl-2,2,4-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 3-ethyl-2,2,4-trimethylheptane is sourced from PubChem (CID 22354769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).