carbonic acid;bis(hexane)

C14H32O6 — CID 173367789

IUPACcarbonic acid;bis(hexane)
SMILESCCCCCC.CCCCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/2C6H14.2CH2O3/c2*1-3-5-6-4-2;2*2-1(3)4/h2*3-6H2,1-2H3;2*(H2,2,3,4)
InChIKeyRZRVGQAQOAVHIH-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.62
Rot. Bonds6

About carbonic acid;bis(hexane)

carbonic acid;bis(hexane) (PubChem CID 173367789) has the molecular formula C14H32O6 and a molecular weight of 296.40 g/mol. Its IUPAC name is carbonic acid;bis(hexane).

Molecular Properties

Compound Namecarbonic acid;bis(hexane)
PubChem CID173367789
Molecular FormulaC14H32O6
Molecular Weight296.40 g/mol
Exact Mass296.22
IUPAC Namecarbonic acid;bis(hexane)
SMILESCCCCCC.CCCCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/2C6H14.2CH2O3/c2*1-3-5-6-4-2;2*2-1(3)4/h2*3-6H2,1-2H3;2*(H2,2,3,4)
InChIKeyRZRVGQAQOAVHIH-UHFFFAOYSA-N
XLogP5.62
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(hexane)?
The IUPAC name of carbonic acid;bis(hexane) (CID 173367789) is carbonic acid;bis(hexane).
What is the SMILES notation for carbonic acid;bis(hexane)?
The canonical SMILES for carbonic acid;bis(hexane) is CCCCCC.CCCCCC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;bis(hexane)?
The InChIKey is RZRVGQAQOAVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.2CH2O3/c2*1-3-5-6-4-2;2*2-1(3)4/h2*3-6H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;bis(hexane)?
carbonic acid;bis(hexane) has a molecular weight of 296.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(hexane) is sourced from PubChem (CID 173367789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).