3-ethyl-2,5-dimethyl-3-propan-2-ylhexane

C13H28 — CID 57491485

IUPAC3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
SMILESCCC(CC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-8-13(11(4)5,12(6)7)9-10(2)3/h10-12H,8-9H2,1-7H3
InChIKeyXWLXLBLGFMFYEY-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.74
Rot. Bonds5

About 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane

3-ethyl-2,5-dimethyl-3-propan-2-ylhexane (PubChem CID 57491485) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
PubChem CID57491485
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
SMILESCCC(CC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-8-13(11(4)5,12(6)7)9-10(2)3/h10-12H,8-9H2,1-7H3
InChIKeyXWLXLBLGFMFYEY-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane
CID 123401102
3-ethyl-2,3,5-trimethylhexane
CID 53428900
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
CID 58292446
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
3-amino-5-methylhexan-3-ol
CID 19828897
4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
CID 135274420
4,4-diethyl-2,7-dimethyloctane
CID 57492571
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
CID 123324624

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane?
The IUPAC name of 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane (CID 57491485) is 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane?
The canonical SMILES for 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane is CCC(CC(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane?
The InChIKey is XWLXLBLGFMFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-8-13(11(4)5,12(6)7)9-10(2)3/h10-12H,8-9H2,1-7H3.
What are the key properties of 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane?
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane has a molecular weight of 184.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyl-3-propan-2-ylhexane is sourced from PubChem (CID 57491485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).