4-ethyl-2-methyl-2-propan-2-yloctanoic acid

C14H28O2 — CID 83148291

IUPAC4-ethyl-2-methyl-2-propan-2-yloctanoic acid
SMILESCCCCC(CC)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H28O2/c1-6-8-9-12(7-2)10-14(5,11(3)4)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyYETHCRMSHRWTOF-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.34
Rot. Bonds8

About 4-ethyl-2-methyl-2-propan-2-yloctanoic acid

4-ethyl-2-methyl-2-propan-2-yloctanoic acid (PubChem CID 83148291) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-propan-2-yloctanoic acid.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-propan-2-yloctanoic acid
PubChem CID83148291
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-ethyl-2-methyl-2-propan-2-yloctanoic acid
SMILESCCCCC(CC)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H28O2/c1-6-8-9-12(7-2)10-14(5,11(3)4)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyYETHCRMSHRWTOF-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
CID 59838559
2,2,3,3-tetrakis(2-ethylhexyl)hexanedioic acid
CID 87564803
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
(6-ethyl-4-methyldecan-4-yl) acetate
CID 87430361
2-chloro-2-(2,2-dichloroethenyl)-4-ethyloctanoic acid
CID 87385388
2,2,3-tris(2-ethylhexyl)pentanedioic acid
CID 87841411
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
(E)-2-(2-ethylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 87536718
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
2,2-bis(2-ethylhexyl)icosanedioic acid
CID 87117283
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
2,3-bis(2-ethylhexyl)-2-propan-2-ylheptadecanedioic acid
CID 87116772

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-propan-2-yloctanoic acid?
The IUPAC name of 4-ethyl-2-methyl-2-propan-2-yloctanoic acid (CID 83148291) is 4-ethyl-2-methyl-2-propan-2-yloctanoic acid.
What is the SMILES notation for 4-ethyl-2-methyl-2-propan-2-yloctanoic acid?
The canonical SMILES for 4-ethyl-2-methyl-2-propan-2-yloctanoic acid is CCCCC(CC)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-ethyl-2-methyl-2-propan-2-yloctanoic acid?
The InChIKey is YETHCRMSHRWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-8-9-12(7-2)10-14(5,11(3)4)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 4-ethyl-2-methyl-2-propan-2-yloctanoic acid?
4-ethyl-2-methyl-2-propan-2-yloctanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2-propan-2-yloctanoic acid is sourced from PubChem (CID 83148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).