3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane

C43H106 — CID 158847825

IUPAC3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
SMILESC.C.C.C.C.C.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(CC)(CC)CC.CCCCC(CC)(CC)CC
InChIInChI=1S/C11H24.C10H22.C9H20.C7H16.6CH4/c1-5-9-10-11(6-2,7-3)8-4;1-5-9-10(6-2,7-3)8-4;1-5-9(6-2,7-3)8-4;1-4-7(5-2)6-3;;;;;;/h5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;6*1H4
InChIKeyIZBFRVIMJGKXLC-UHFFFAOYSA-N
MW623.32 g/mol
LogP18.66
Rot. Bonds18

About 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane

3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane (PubChem CID 158847825) has the molecular formula C43H106 and a molecular weight of 623.32 g/mol. Its IUPAC name is 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane.

Molecular Properties

Compound Name3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
PubChem CID158847825
Molecular FormulaC43H106
Molecular Weight623.32 g/mol
Exact Mass622.83
IUPAC Name3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
SMILESC.C.C.C.C.C.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(CC)(CC)CC.CCCCC(CC)(CC)CC
InChIInChI=1S/C11H24.C10H22.C9H20.C7H16.6CH4/c1-5-9-10-11(6-2,7-3)8-4;1-5-9-10(6-2,7-3)8-4;1-5-9(6-2,7-3)8-4;1-4-7(5-2)6-3;;;;;;/h5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;6*1H4
InChIKeyIZBFRVIMJGKXLC-UHFFFAOYSA-N
XLogP18.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.32
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 177031380
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CID 23057811
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
7-butyl-7-ethyltetradecane
CID 174665936
6,6-bis(2-ethylbutyl)undecane
CID 174469307
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-butyl-2-ethylhexan-1-amine
CID 62725100
2,2-diethylhexylphosphane
CID 150041193
(3-ethyl-3-propylheptoxy)silane
CID 123804665
N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane?
The IUPAC name of 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane (CID 158847825) is 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane.
What is the SMILES notation for 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane?
The canonical SMILES for 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane is C.C.C.C.C.C.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(CC)(CC)CC.CCCCC(CC)(CC)CC.
What is the InChIKey of 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane?
The InChIKey is IZBFRVIMJGKXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C10H22.C9H20.C7H16.6CH4/c1-5-9-10-11(6-2,7-3)8-4;1-5-9-10(6-2,7-3)8-4;1-5-9(6-2,7-3)8-4;1-4-7(5-2)6-3;;;;;;/h5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;6*1H4.
What are the key properties of 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane?
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane has a molecular weight of 623.32 g/mol, XLogP of 18.66, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane is sourced from PubChem (CID 158847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).