ethane;hexane;dicarbonate;hydrate

C10H22O7-4 — CID 18475207

IUPACethane;hexane;dicarbonate;hydrate
SMILESCC.CCCCCC.O.O=C([O-])[O-].O=C([O-])[O-]
InChIInChI=1S/C6H14.C2H6.2CH2O3.H2O/c1-3-5-6-4-2;1-2;2*2-1(3)4;/h3-6H2,1-2H3;1-2H3;2*(H2,2,3,4);1H2/p-4
InChIKeyVFTUGVRAJPSDMI-UHFFFAOYSA-J
MW254.28 g/mol
LogP-2.11
Rot. Bonds3

About ethane;hexane;dicarbonate;hydrate

ethane;hexane;dicarbonate;hydrate (PubChem CID 18475207) has the molecular formula C10H22O7-4 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethane;hexane;dicarbonate;hydrate.

Molecular Properties

Compound Nameethane;hexane;dicarbonate;hydrate
PubChem CID18475207
Molecular FormulaC10H22O7-4
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Nameethane;hexane;dicarbonate;hydrate
SMILESCC.CCCCCC.O.O=C([O-])[O-].O=C([O-])[O-]
InChIInChI=1S/C6H14.C2H6.2CH2O3.H2O/c1-3-5-6-4-2;1-2;2*2-1(3)4;/h3-6H2,1-2H3;1-2H3;2*(H2,2,3,4);1H2/p-4
InChIKeyVFTUGVRAJPSDMI-UHFFFAOYSA-J
XLogP-2.11
TPSA157.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 174575867
bis(tetrabutylazanium);carbonate
CID 14746847
butylphosphanium diacetate
CID 172711940
butylphosphanium acetate
CID 18551477
octylazanium;carbonate
CID 141329834
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
hexane-1,1-diol carbonate
CID 22286932
azanium;heptanoate;tetrahydrate
CID 172723496
calcium;dodecane-1-thiol;carbonate
CID 175411308
trisodium;octadecanoate;carbonate
CID 162024794
carbonic acid;bis(hexane)
CID 173367789
heptane;methanol;propan-2-one;hydrate
CID 174653292

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;dicarbonate;hydrate?
The IUPAC name of ethane;hexane;dicarbonate;hydrate (CID 18475207) is ethane;hexane;dicarbonate;hydrate.
What is the SMILES notation for ethane;hexane;dicarbonate;hydrate?
The canonical SMILES for ethane;hexane;dicarbonate;hydrate is CC.CCCCCC.O.O=C([O-])[O-].O=C([O-])[O-].
What is the InChIKey of ethane;hexane;dicarbonate;hydrate?
The InChIKey is VFTUGVRAJPSDMI-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H14.C2H6.2CH2O3.H2O/c1-3-5-6-4-2;1-2;2*2-1(3)4;/h3-6H2,1-2H3;1-2H3;2*(H2,2,3,4);1H2/p-4.
What are the key properties of ethane;hexane;dicarbonate;hydrate?
ethane;hexane;dicarbonate;hydrate has a molecular weight of 254.28 g/mol, XLogP of -2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;dicarbonate;hydrate is sourced from PubChem (CID 18475207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).