acetic acid;carbonic acid;ethane

C5H12O5 — CID 87357637

IUPACacetic acid;carbonic acid;ethane
SMILESCC.CC(=O)O.O=C(O)O
InChIInChI=1S/C2H4O2.C2H6.CH2O3/c1-2(3)4;1-2;2-1(3)4/h1H3,(H,3,4);1-2H3;(H2,2,3,4)
InChIKeyBCNLGCRGPWQVSD-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.34
Rot. Bonds

About acetic acid;carbonic acid;ethane

acetic acid;carbonic acid;ethane (PubChem CID 87357637) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is acetic acid;carbonic acid;ethane.

Molecular Properties

Compound Nameacetic acid;carbonic acid;ethane
PubChem CID87357637
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Nameacetic acid;carbonic acid;ethane
SMILESCC.CC(=O)O.O=C(O)O
InChIInChI=1S/C2H4O2.C2H6.CH2O3/c1-2(3)4;1-2;2-1(3)4/h1H3,(H,3,4);1-2H3;(H2,2,3,4)
InChIKeyBCNLGCRGPWQVSD-UHFFFAOYSA-N
XLogP1.34
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;carbonic acid
CID 157418112
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;ethane
CID 173144363
acetic acid
CID 158444727
acetic acid;alumane;carbonic acid;zinc
CID 174369792
acetic acid;cobalt
CID 54602348
Tin(II)acetate
CID 87063833
acetic acid;cadmium
CID 2514
acetic acid;decahydrate
CID 163997764
acetic acid;azane
CID 173340275
acetic acid;stibane
CID 173054099

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonic acid;ethane?
The IUPAC name of acetic acid;carbonic acid;ethane (CID 87357637) is acetic acid;carbonic acid;ethane.
What is the SMILES notation for acetic acid;carbonic acid;ethane?
The canonical SMILES for acetic acid;carbonic acid;ethane is CC.CC(=O)O.O=C(O)O.
What is the InChIKey of acetic acid;carbonic acid;ethane?
The InChIKey is BCNLGCRGPWQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H6.CH2O3/c1-2(3)4;1-2;2-1(3)4/h1H3,(H,3,4);1-2H3;(H2,2,3,4).
What are the key properties of acetic acid;carbonic acid;ethane?
acetic acid;carbonic acid;ethane has a molecular weight of 152.15 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonic acid;ethane is sourced from PubChem (CID 87357637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).