4,4-diethyloctane;ethane

C14H32 — CID 177031380

IUPAC4,4-diethyloctane;ethane
SMILESCC.CCCCC(CC)(CC)CCC
InChIInChI=1S/C12H26.C2H6/c1-5-9-11-12(7-3,8-4)10-6-2;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyOEAFNOSBQNBIDH-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.81
Rot. Bonds7

About 4,4-diethyloctane;ethane

4,4-diethyloctane;ethane (PubChem CID 177031380) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 4,4-diethyloctane;ethane.

Molecular Properties

Compound Name4,4-diethyloctane;ethane
PubChem CID177031380
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name4,4-diethyloctane;ethane
SMILESCC.CCCCC(CC)(CC)CCC
InChIInChI=1S/C12H26.C2H6/c1-5-9-11-12(7-3,8-4)10-6-2;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyOEAFNOSBQNBIDH-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

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2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
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7-butyl-7-ethyltetradecane
CID 174665936
5-(bromomethyl)-5-ethyldecane
CID 66050234
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-butyl-2-ethylhexan-1-amine
CID 62725100
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2,2-diethylhexylphosphane
CID 150041193
(3-ethyl-3-propylheptoxy)silane
CID 123804665
N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
4,4,9,9-tetrapropyldodecane
CID 140610407

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyloctane;ethane?
The IUPAC name of 4,4-diethyloctane;ethane (CID 177031380) is 4,4-diethyloctane;ethane.
What is the SMILES notation for 4,4-diethyloctane;ethane?
The canonical SMILES for 4,4-diethyloctane;ethane is CC.CCCCC(CC)(CC)CCC.
What is the InChIKey of 4,4-diethyloctane;ethane?
The InChIKey is OEAFNOSBQNBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C2H6/c1-5-9-11-12(7-3,8-4)10-6-2;1-2/h5-11H2,1-4H3;1-2H3.
What are the key properties of 4,4-diethyloctane;ethane?
4,4-diethyloctane;ethane has a molecular weight of 200.41 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyloctane;ethane is sourced from PubChem (CID 177031380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).