acetic acid;ethane;ethylbenzene;methane

C27H52O2 — CID 159768897

IUPACacetic acid;ethane;ethylbenzene;methane
SMILESC.CC.CC.CC.CC.CC(=O)O.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C8H10.C2H4O2.4C2H6.CH4/c2*1-2-8-6-4-3-5-7-8;1-2(3)4;4*1-2;/h2*3-7H,2H2,1H3;1H3,(H,3,4);4*1-2H3;1H4
InChIKeyZLSLYAWPFVZZAZ-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.33
Rot. Bonds2

About acetic acid;ethane;ethylbenzene;methane

acetic acid;ethane;ethylbenzene;methane (PubChem CID 159768897) has the molecular formula C27H52O2 and a molecular weight of 408.71 g/mol. Its IUPAC name is acetic acid;ethane;ethylbenzene;methane.

Molecular Properties

Compound Nameacetic acid;ethane;ethylbenzene;methane
PubChem CID159768897
Molecular FormulaC27H52O2
Molecular Weight408.71 g/mol
Exact Mass408.40
IUPAC Nameacetic acid;ethane;ethylbenzene;methane
SMILESC.CC.CC.CC.CC.CC(=O)O.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C8H10.C2H4O2.4C2H6.CH4/c2*1-2-8-6-4-3-5-7-8;1-2(3)4;4*1-2;/h2*3-7H,2H2,1H3;1H3,(H,3,4);4*1-2H3;1H4
InChIKeyZLSLYAWPFVZZAZ-UHFFFAOYSA-N
XLogP9.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethylbenzene;molybdenum
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sulfanium ethylbenzene
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zinc;ethylbenzene;dicarbamothioate
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CID 23624143
CID 23624143

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;ethylbenzene;methane?
The IUPAC name of acetic acid;ethane;ethylbenzene;methane (CID 159768897) is acetic acid;ethane;ethylbenzene;methane.
What is the SMILES notation for acetic acid;ethane;ethylbenzene;methane?
The canonical SMILES for acetic acid;ethane;ethylbenzene;methane is C.CC.CC.CC.CC.CC(=O)O.CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of acetic acid;ethane;ethylbenzene;methane?
The InChIKey is ZLSLYAWPFVZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C2H4O2.4C2H6.CH4/c2*1-2-8-6-4-3-5-7-8;1-2(3)4;4*1-2;/h2*3-7H,2H2,1H3;1H3,(H,3,4);4*1-2H3;1H4.
What are the key properties of acetic acid;ethane;ethylbenzene;methane?
acetic acid;ethane;ethylbenzene;methane has a molecular weight of 408.71 g/mol, XLogP of 9.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;ethylbenzene;methane is sourced from PubChem (CID 159768897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).