3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane

C20H42 — CID 140704954

IUPAC3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
SMILESCCC(C(C)C)C(C(C)C)C(C(C)C)C(CC)C(C)C
InChIInChI=1S/C20H42/c1-11-17(13(3)4)19(15(7)8)20(16(9)10)18(12-2)14(5)6/h13-20H,11-12H2,1-10H3
InChIKeyKZFGKKONEGXTOK-UHFFFAOYSA-N
MW282.56 g/mol
LogP6.90
Rot. Bonds9

About 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane

3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane (PubChem CID 140704954) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane.

Molecular Properties

Compound Name3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
PubChem CID140704954
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
SMILESCCC(C(C)C)C(C(C)C)C(C(C)C)C(CC)C(C)C
InChIInChI=1S/C20H42/c1-11-17(13(3)4)19(15(7)8)20(16(9)10)18(12-2)14(5)6/h13-20H,11-12H2,1-10H3
InChIKeyKZFGKKONEGXTOK-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
CID 123979572
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
CID 123956694
2,3-dimethylbutane;ethane;propane
CID 144519619

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane?
The IUPAC name of 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane (CID 140704954) is 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane.
What is the SMILES notation for 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane?
The canonical SMILES for 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane is CCC(C(C)C)C(C(C)C)C(C(C)C)C(CC)C(C)C.
What is the InChIKey of 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane?
The InChIKey is KZFGKKONEGXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-11-17(13(3)4)19(15(7)8)20(16(9)10)18(12-2)14(5)6/h13-20H,11-12H2,1-10H3.
What are the key properties of 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane?
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane has a molecular weight of 282.56 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane is sourced from PubChem (CID 140704954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).