carbonic acid;cyclohexane;propane

C14H32O6 — CID 175056735

IUPACcarbonic acid;cyclohexane;propane
SMILESC1CCCCC1.CCC.CCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.2C3H8.2CH2O3/c1-2-4-6-5-3-1;2*1-3-2;2*2-1(3)4/h1-6H2;2*3H2,1-2H3;2*(H2,2,3,4)
InChIKeyZRVCWWQJCKZXIN-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.62
Rot. Bonds

About carbonic acid;cyclohexane;propane

carbonic acid;cyclohexane;propane (PubChem CID 175056735) has the molecular formula C14H32O6 and a molecular weight of 296.40 g/mol. Its IUPAC name is carbonic acid;cyclohexane;propane.

Molecular Properties

Compound Namecarbonic acid;cyclohexane;propane
PubChem CID175056735
Molecular FormulaC14H32O6
Molecular Weight296.40 g/mol
Exact Mass296.22
IUPAC Namecarbonic acid;cyclohexane;propane
SMILESC1CCCCC1.CCC.CCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.2C3H8.2CH2O3/c1-2-4-6-5-3-1;2*1-3-2;2*2-1(3)4/h1-6H2;2*3H2,1-2H3;2*(H2,2,3,4)
InChIKeyZRVCWWQJCKZXIN-UHFFFAOYSA-N
XLogP5.62
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane;propane?
The IUPAC name of carbonic acid;cyclohexane;propane (CID 175056735) is carbonic acid;cyclohexane;propane.
What is the SMILES notation for carbonic acid;cyclohexane;propane?
The canonical SMILES for carbonic acid;cyclohexane;propane is C1CCCCC1.CCC.CCC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane;propane?
The InChIKey is ZRVCWWQJCKZXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C3H8.2CH2O3/c1-2-4-6-5-3-1;2*1-3-2;2*2-1(3)4/h1-6H2;2*3H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane;propane?
carbonic acid;cyclohexane;propane has a molecular weight of 296.40 g/mol, XLogP of 5.62, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane;propane is sourced from PubChem (CID 175056735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).