acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol

C13H26O11 — CID 68668361

IUPACacetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC(O)C1(O)CC1
InChIInChI=1S/C5H10O3.4C2H4O2/c6-3-4(7)5(8)1-2-5;4*1-2(3)4/h4,6-8H,1-3H2;4*1H3,(H,3,4)
InChIKeyUJHJBCNQRPCVSQ-UHFFFAOYSA-N
MW358.34 g/mol
LogP-0.77
Rot. Bonds2

About acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol

acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol (PubChem CID 68668361) has the molecular formula C13H26O11 and a molecular weight of 358.34 g/mol. Its IUPAC name is acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
PubChem CID68668361
Molecular FormulaC13H26O11
Molecular Weight358.34 g/mol
Exact Mass358.15
IUPAC Nameacetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC(O)C1(O)CC1
InChIInChI=1S/C5H10O3.4C2H4O2/c6-3-4(7)5(8)1-2-5;4*1-2(3)4/h4,6-8H,1-3H2;4*1H3,(H,3,4)
InChIKeyUJHJBCNQRPCVSQ-UHFFFAOYSA-N
XLogP-0.77
TPSA209.89 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
acetic acid;methanetriol
CID 174483633
acetic acid;butane-1,2-diol
CID 71357816
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
acetic acid;methanol;methoxymethane;propane-1,2-diol
CID 174829154
acetic acid;3-aminopropane-1,2-diol
CID 158327345
1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
CID 157065272
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
acetic acid;tetraethylphosphanium
CID 159003626
carbonic acid;(2S)-propane-1,2-diol
CID 70700046

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol?
The IUPAC name of acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol (CID 68668361) is acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol.
What is the SMILES notation for acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol?
The canonical SMILES for acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC(O)C1(O)CC1.
What is the InChIKey of acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol?
The InChIKey is UJHJBCNQRPCVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.4C2H4O2/c6-3-4(7)5(8)1-2-5;4*1-2(3)4/h4,6-8H,1-3H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol?
acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol has a molecular weight of 358.34 g/mol, XLogP of -0.77, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol is sourced from PubChem (CID 68668361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).