6-ethyl-3-methylnonane;methane

C13H30 — CID 142358245

IUPAC6-ethyl-3-methylnonane;methane
SMILESC.CCCC(CC)CCC(C)CC
InChIInChI=1S/C12H26.CH4/c1-5-8-12(7-3)10-9-11(4)6-2;/h11-12H,5-10H2,1-4H3;1H4
InChIKeyQPLDZGYWTYCMLB-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds7

About 6-ethyl-3-methylnonane;methane

6-ethyl-3-methylnonane;methane (PubChem CID 142358245) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 6-ethyl-3-methylnonane;methane.

Molecular Properties

Compound Name6-ethyl-3-methylnonane;methane
PubChem CID142358245
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name6-ethyl-3-methylnonane;methane
SMILESC.CCCC(CC)CCC(C)CC
InChIInChI=1S/C12H26.CH4/c1-5-8-12(7-3)10-9-11(4)6-2;/h11-12H,5-10H2,1-4H3;1H4
InChIKeyQPLDZGYWTYCMLB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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tetrakis(5-ethyl-2-methyloctyl)boranuide
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3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane
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5-ethyloctan-2-ol
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CID 160839086
CID 160839086
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CID 123237146
3,3,8-trimethyl-5-propyldecane
CID 142826348
3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
CID 159718510
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methylnonane;methane?
The IUPAC name of 6-ethyl-3-methylnonane;methane (CID 142358245) is 6-ethyl-3-methylnonane;methane.
What is the SMILES notation for 6-ethyl-3-methylnonane;methane?
The canonical SMILES for 6-ethyl-3-methylnonane;methane is C.CCCC(CC)CCC(C)CC.
What is the InChIKey of 6-ethyl-3-methylnonane;methane?
The InChIKey is QPLDZGYWTYCMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.CH4/c1-5-8-12(7-3)10-9-11(4)6-2;/h11-12H,5-10H2,1-4H3;1H4.
What are the key properties of 6-ethyl-3-methylnonane;methane?
6-ethyl-3-methylnonane;methane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methylnonane;methane is sourced from PubChem (CID 142358245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).