ethanol;heptahydrate

C6H32O10 — CID 57434370

IUPACethanol;heptahydrate
SMILESCCO.CCO.CCO.O.O.O.O.O.O.O
InChIInChI=1S/3C2H6O.7H2O/c3*1-2-3;;;;;;;/h3*3H,2H2,1H3;7*1H2
InChIKeyDTYSZZYCZYPWBD-UHFFFAOYSA-N
MW264.31 g/mol
LogP-5.78
Rot. Bonds

About ethanol;heptahydrate

ethanol;heptahydrate (PubChem CID 57434370) has the molecular formula C6H32O10 and a molecular weight of 264.31 g/mol. Its IUPAC name is ethanol;heptahydrate.

Molecular Properties

Compound Nameethanol;heptahydrate
PubChem CID57434370
Molecular FormulaC6H32O10
Molecular Weight264.31 g/mol
Exact Mass264.20
IUPAC Nameethanol;heptahydrate
SMILESCCO.CCO.CCO.O.O.O.O.O.O.O
InChIInChI=1S/3C2H6O.7H2O/c3*1-2-3;;;;;;;/h3*3H,2H2,1H3;7*1H2
InChIKeyDTYSZZYCZYPWBD-UHFFFAOYSA-N
XLogP-5.78
TPSA281.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-5.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21910217

Frequently Asked Questions

What is the IUPAC name of ethanol;heptahydrate?
The IUPAC name of ethanol;heptahydrate (CID 57434370) is ethanol;heptahydrate.
What is the SMILES notation for ethanol;heptahydrate?
The canonical SMILES for ethanol;heptahydrate is CCO.CCO.CCO.O.O.O.O.O.O.O.
What is the InChIKey of ethanol;heptahydrate?
The InChIKey is DTYSZZYCZYPWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O.7H2O/c3*1-2-3;;;;;;;/h3*3H,2H2,1H3;7*1H2.
What are the key properties of ethanol;heptahydrate?
ethanol;heptahydrate has a molecular weight of 264.31 g/mol, XLogP of -5.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;heptahydrate is sourced from PubChem (CID 57434370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).