4-ethyl-2-methyl-3-propan-2-ylheptane

C13H28 — CID 57491433

IUPAC4-ethyl-2-methyl-3-propan-2-ylheptane
SMILESCCCC(CC)C(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-7-9-12(8-2)13(10(3)4)11(5)6/h10-13H,7-9H2,1-6H3
InChIKeyUIEFPXJJANILGO-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.74
Rot. Bonds6

About 4-ethyl-2-methyl-3-propan-2-ylheptane

4-ethyl-2-methyl-3-propan-2-ylheptane (PubChem CID 57491433) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-propan-2-ylheptane
PubChem CID57491433
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4-ethyl-2-methyl-3-propan-2-ylheptane
SMILESCCCC(CC)C(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-7-9-12(8-2)13(10(3)4)11(5)6/h10-13H,7-9H2,1-6H3
InChIKeyUIEFPXJJANILGO-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-ethyl-2-methylhexane
CID 59954424
4,5-diethyloctane
CID 519254
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
4-ethyl-2-methylheptane-3-thiol
CID 123793265
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
3-ethyl-2-methanidylhexane
CID 90757156
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
4,5,6,7-tetraethyldecane
CID 101052128
3,4-diethylheptane-2-thiol
CID 174326540

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-propan-2-ylheptane?
The IUPAC name of 4-ethyl-2-methyl-3-propan-2-ylheptane (CID 57491433) is 4-ethyl-2-methyl-3-propan-2-ylheptane.
What is the SMILES notation for 4-ethyl-2-methyl-3-propan-2-ylheptane?
The canonical SMILES for 4-ethyl-2-methyl-3-propan-2-ylheptane is CCCC(CC)C(C(C)C)C(C)C.
What is the InChIKey of 4-ethyl-2-methyl-3-propan-2-ylheptane?
The InChIKey is UIEFPXJJANILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-9-12(8-2)13(10(3)4)11(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 4-ethyl-2-methyl-3-propan-2-ylheptane?
4-ethyl-2-methyl-3-propan-2-ylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-propan-2-ylheptane is sourced from PubChem (CID 57491433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).