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

C13H28 — CID 57491483

IUPAC3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
SMILESCCCC(CC)(C(C)C)C(C)(C)C
InChIInChI=1S/C13H28/c1-8-10-13(9-2,11(3)4)12(5,6)7/h11H,8-10H2,1-7H3
InChIKeyKGNTUHSQOQWONB-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds4

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

3-ethyl-2,2-dimethyl-3-propan-2-ylhexane (PubChem CID 57491483) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
PubChem CID57491483
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
SMILESCCCC(CC)(C(C)C)C(C)(C)C
InChIInChI=1S/C13H28/c1-8-10-13(9-2,11(3)4)12(5,6)7/h11H,8-10H2,1-7H3
InChIKeyKGNTUHSQOQWONB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
CID 123644711
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
CID 159604083
CID 123515274
CID 123515274
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
6-butan-2-yl-4,5-diethyl-5-fluoro-6-(2-methylpropyl)-4-propan-2-yldecane
CID 141008707
9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
CID 141081090
2-methyl-2-(2-methylbutan-2-ylsulfinyl)pentane
CID 88562947
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
2,4-dimethyl-3,3,4-tripropylheptanoic acid
CID 89380229

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane?
The IUPAC name of 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane (CID 57491483) is 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane?
The canonical SMILES for 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane is CCCC(CC)(C(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane?
The InChIKey is KGNTUHSQOQWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-8-10-13(9-2,11(3)4)12(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-2,2-dimethyl-3-propan-2-ylhexane?
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 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-dimethyl-3-propan-2-ylhexane is sourced from PubChem (CID 57491483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).