4-ethylheptane;methane

C11H28 — CID 143165373

IUPAC4-ethylheptane;methane
SMILESC.C.CCCC(CC)CCC
InChIInChI=1S/C9H20.2CH4/c1-4-7-9(6-3)8-5-2;;/h9H,4-8H2,1-3H3;2*1H4
InChIKeyVKVFUQDZHFWCMX-UHFFFAOYSA-N
MW160.34 g/mol
LogP4.89
Rot. Bonds5

About 4-ethylheptane;methane

4-ethylheptane;methane (PubChem CID 143165373) has the molecular formula C11H28 and a molecular weight of 160.34 g/mol. Its IUPAC name is 4-ethylheptane;methane.

Molecular Properties

Compound Name4-ethylheptane;methane
PubChem CID143165373
Molecular FormulaC11H28
Molecular Weight160.34 g/mol
Exact Mass160.22
IUPAC Name4-ethylheptane;methane
SMILESC.C.CCCC(CC)CCC
InChIInChI=1S/C9H20.2CH4/c1-4-7-9(6-3)8-5-2;;/h9H,4-8H2,1-3H3;2*1H4
InChIKeyVKVFUQDZHFWCMX-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-3-methylnonane;methane
CID 142358245
5-ethylnonane;5-propylnonane
CID 157441807
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethyl-1-fluoroheptane
CID 174734694
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
5-ethyloctan-2-ol
CID 20725141
CID 160839086
CID 160839086
10-ethyl-2-methyltridecane
CID 173195663

Frequently Asked Questions

What is the IUPAC name of 4-ethylheptane;methane?
The IUPAC name of 4-ethylheptane;methane (CID 143165373) is 4-ethylheptane;methane.
What is the SMILES notation for 4-ethylheptane;methane?
The canonical SMILES for 4-ethylheptane;methane is C.C.CCCC(CC)CCC.
What is the InChIKey of 4-ethylheptane;methane?
The InChIKey is VKVFUQDZHFWCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2CH4/c1-4-7-9(6-3)8-5-2;;/h9H,4-8H2,1-3H3;2*1H4.
What are the key properties of 4-ethylheptane;methane?
4-ethylheptane;methane has a molecular weight of 160.34 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylheptane;methane is sourced from PubChem (CID 143165373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).