acetic acid;ethane

C10H28O2 — CID 173144363

IUPACacetic acid;ethane
SMILESCC.CC.CC.CC.CC(=O)O
InChIInChI=1S/C2H4O2.4C2H6/c1-2(3)4;4*1-2/h1H3,(H,3,4);4*1-2H3
InChIKeySXILKFXCTZSRNG-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.20
Rot. Bonds

About acetic acid;ethane

acetic acid;ethane (PubChem CID 173144363) has the molecular formula C10H28O2 and a molecular weight of 180.33 g/mol. Its IUPAC name is acetic acid;ethane.

Molecular Properties

Compound Nameacetic acid;ethane
PubChem CID173144363
Molecular FormulaC10H28O2
Molecular Weight180.33 g/mol
Exact Mass180.21
IUPAC Nameacetic acid;ethane
SMILESCC.CC.CC.CC.CC(=O)O
InChIInChI=1S/C2H4O2.4C2H6/c1-2(3)4;4*1-2/h1H3,(H,3,4);4*1-2H3
InChIKeySXILKFXCTZSRNG-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;carbonic acid;ethane
CID 87357637
acetic acid
CID 158444727
acetic acid;cobalt
CID 54602348
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473
acetic acid;vanadium
CID 173443465
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane?
The IUPAC name of acetic acid;ethane (CID 173144363) is acetic acid;ethane.
What is the SMILES notation for acetic acid;ethane?
The canonical SMILES for acetic acid;ethane is CC.CC.CC.CC.CC(=O)O.
What is the InChIKey of acetic acid;ethane?
The InChIKey is SXILKFXCTZSRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.4C2H6/c1-2(3)4;4*1-2/h1H3,(H,3,4);4*1-2H3.
What are the key properties of acetic acid;ethane?
acetic acid;ethane has a molecular weight of 180.33 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane is sourced from PubChem (CID 173144363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).