3,3-diethylpentane;3-methylhexane;3-methylpentane

C22H50 — CID 160955988

IUPAC3,3-diethylpentane;3-methylhexane;3-methylpentane
SMILESCCC(C)CC.CCC(CC)(CC)CC.CCCC(C)CC
InChIInChI=1S/C9H20.C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-6(3)5-2/h5-8H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeySWJVRBOVHDVCDZ-UHFFFAOYSA-N
MW314.64 g/mol
LogP8.89
Rot. Bonds9

About 3,3-diethylpentane;3-methylhexane;3-methylpentane

3,3-diethylpentane;3-methylhexane;3-methylpentane (PubChem CID 160955988) has the molecular formula C22H50 and a molecular weight of 314.64 g/mol. Its IUPAC name is 3,3-diethylpentane;3-methylhexane;3-methylpentane.

Molecular Properties

Compound Name3,3-diethylpentane;3-methylhexane;3-methylpentane
PubChem CID160955988
Molecular FormulaC22H50
Molecular Weight314.64 g/mol
Exact Mass314.39
IUPAC Name3,3-diethylpentane;3-methylhexane;3-methylpentane
SMILESCCC(C)CC.CCC(CC)(CC)CC.CCCC(C)CC
InChIInChI=1S/C9H20.C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-6(3)5-2/h5-8H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeySWJVRBOVHDVCDZ-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
CID 159718510
butane;3,3-diethyloctane;bis(3,3-diethylpentane);2,3-dimethylbutane;heptane;bis(hexane);methane;3-methylhexane;3-methylpentane;octane
CID 161459220
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
3-methylhexane;3-methylpentane;pentane
CID 158601477
(3R,6R)-3,6-dimethylnonane
CID 170848352
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3-methylhexane;2-methylprop-1-ene
CID 165405684
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
2-methylhexane;3-methylhexane
CID 123646192
3,3-dimethylpentane;heptane;bis(hexane);2-methylheptane;3-methylheptane;3-methylhexane;3-methylpentane
CID 161470196

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpentane;3-methylhexane;3-methylpentane?
The IUPAC name of 3,3-diethylpentane;3-methylhexane;3-methylpentane (CID 160955988) is 3,3-diethylpentane;3-methylhexane;3-methylpentane.
What is the SMILES notation for 3,3-diethylpentane;3-methylhexane;3-methylpentane?
The canonical SMILES for 3,3-diethylpentane;3-methylhexane;3-methylpentane is CCC(C)CC.CCC(CC)(CC)CC.CCCC(C)CC.
What is the InChIKey of 3,3-diethylpentane;3-methylhexane;3-methylpentane?
The InChIKey is SWJVRBOVHDVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-6(3)5-2/h5-8H2,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3,3-diethylpentane;3-methylhexane;3-methylpentane?
3,3-diethylpentane;3-methylhexane;3-methylpentane has a molecular weight of 314.64 g/mol, XLogP of 8.89, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpentane;3-methylhexane;3-methylpentane is sourced from PubChem (CID 160955988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).