carbonic acid;bis(cyclohexane);hydrate

C14H30O7 — CID 66635931

IUPACcarbonic acid;bis(cyclohexane);hydrate
SMILESC1CCCCC1.C1CCCCC1.O.O=C(O)O.O=C(O)O
InChIInChI=1S/2C6H12.2CH2O3.H2O/c2*1-2-4-6-5-3-1;2*2-1(3)4;/h2*1-6H2;2*(H2,2,3,4);1H2
InChIKeyQLDOPQXSRWBJPK-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.30
Rot. Bonds

About carbonic acid;bis(cyclohexane);hydrate

carbonic acid;bis(cyclohexane);hydrate (PubChem CID 66635931) has the molecular formula C14H30O7 and a molecular weight of 310.39 g/mol. Its IUPAC name is carbonic acid;bis(cyclohexane);hydrate.

Molecular Properties

Compound Namecarbonic acid;bis(cyclohexane);hydrate
PubChem CID66635931
Molecular FormulaC14H30O7
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Namecarbonic acid;bis(cyclohexane);hydrate
SMILESC1CCCCC1.C1CCCCC1.O.O=C(O)O.O=C(O)O
InChIInChI=1S/2C6H12.2CH2O3.H2O/c2*1-2-4-6-5-3-1;2*2-1(3)4;/h2*1-6H2;2*(H2,2,3,4);1H2
InChIKeyQLDOPQXSRWBJPK-UHFFFAOYSA-N
XLogP4.30
TPSA146.56 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(cyclohexane);hydrate?
The IUPAC name of carbonic acid;bis(cyclohexane);hydrate (CID 66635931) is carbonic acid;bis(cyclohexane);hydrate.
What is the SMILES notation for carbonic acid;bis(cyclohexane);hydrate?
The canonical SMILES for carbonic acid;bis(cyclohexane);hydrate is C1CCCCC1.C1CCCCC1.O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;bis(cyclohexane);hydrate?
The InChIKey is QLDOPQXSRWBJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.2CH2O3.H2O/c2*1-2-4-6-5-3-1;2*2-1(3)4;/h2*1-6H2;2*(H2,2,3,4);1H2.
What are the key properties of carbonic acid;bis(cyclohexane);hydrate?
carbonic acid;bis(cyclohexane);hydrate has a molecular weight of 310.39 g/mol, XLogP of 4.30, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(cyclohexane);hydrate is sourced from PubChem (CID 66635931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).