carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C28H48O14 — CID 123921095

About carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 123921095) has the molecular formula C28H48O14 and a molecular weight of 608.68 g/mol. Its IUPAC name is carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 123921095
• Molecular Formula: C28H48O14
• Molecular Weight: 608.68 g/mol
• Exact Mass: 608.30
• IUPAC Name: carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: CCC1OCCC(OC2OC(CO)C(O)C(OCCC3CCCCC3)C2O)C1OC1OC(C)C(O)C(O)C1O.O=C=O
• InChI: InChI=1S/C27H48O12.CO2/c1-3-16-24(39-26-22(32)21(31)19(29)14(2)36-26)17(10-12-34-16)37-27-23(33)25(20(30)18(13-28)38-27)35-11-9-15-7-5-4-6-8-15;2-1-3/h14-33H,3-13H2,1-2H3
• InChIKey: QVQVUADUIXJLDW-UHFFFAOYSA-N
• XLogP: -1.01
• TPSA: 210.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.68
LogP ≤ 5	-1.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The IUPAC name of carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 123921095) is carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

What is the SMILES notation for carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The canonical SMILES for carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is CCC1OCCC(OC2OC(CO)C(O)C(OCCC3CCCCC3)C2O)C1OC1OC(C)C(O)C(O)C1O.O=C=O.

What is the InChIKey of carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The InChIKey is QVQVUADUIXJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O12.CO2/c1-3-16-24(39-26-22(32)21(31)19(29)14(2)36-26)17(10-12-34-16)37-27-23(33)25(20(30)18(13-28)38-27)35-11-9-15-7-5-4-6-8-15;2-1-3/h14-33H,3-13H2,1-2H3;.

What are the key properties of carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 608.68 g/mol, XLogP of -1.01, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-[4-[4-(2-cyclohexylethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-ethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 123921095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).