4-ethyl-4-methyloctane;propane

C14H32 — CID 176660925

IUPAC4-ethyl-4-methyloctane;propane
SMILESCCC.CCCCC(C)(CC)CCC
InChIInChI=1S/C11H24.C3H8/c1-5-8-10-11(4,7-3)9-6-2;1-3-2/h5-10H2,1-4H3;3H2,1-2H3
InChIKeyKOCQBBQZKMFSQY-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.81
Rot. Bonds6

About 4-ethyl-4-methyloctane;propane

4-ethyl-4-methyloctane;propane (PubChem CID 176660925) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 4-ethyl-4-methyloctane;propane.

Molecular Properties

Compound Name4-ethyl-4-methyloctane;propane
PubChem CID176660925
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name4-ethyl-4-methyloctane;propane
SMILESCCC.CCCCC(C)(CC)CCC
InChIInChI=1S/C11H24.C3H8/c1-5-8-10-11(4,7-3)9-6-2;1-3-2/h5-10H2,1-4H3;3H2,1-2H3
InChIKeyKOCQBBQZKMFSQY-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-ethyl-4-methylnonane
CID 164538733
4-ethyl-4-methyloctane;isocyanic acid
CID 87136372
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhentetracontane
CID 123896152
5-ethyl-5-methylhenicosane
CID 86034991
4-methyl-4-propylnonane
CID 54241684
CID 173498091
CID 173498091
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
2,4-dimethyl-4-propyloctane
CID 57491235

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyloctane;propane?
The IUPAC name of 4-ethyl-4-methyloctane;propane (CID 176660925) is 4-ethyl-4-methyloctane;propane.
What is the SMILES notation for 4-ethyl-4-methyloctane;propane?
The canonical SMILES for 4-ethyl-4-methyloctane;propane is CCC.CCCCC(C)(CC)CCC.
What is the InChIKey of 4-ethyl-4-methyloctane;propane?
The InChIKey is KOCQBBQZKMFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C3H8/c1-5-8-10-11(4,7-3)9-6-2;1-3-2/h5-10H2,1-4H3;3H2,1-2H3.
What are the key properties of 4-ethyl-4-methyloctane;propane?
4-ethyl-4-methyloctane;propane has a molecular weight of 200.41 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyloctane;propane is sourced from PubChem (CID 176660925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).