[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate

C24H40O8 — CID 143933568

IUPAC[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate
SMILESCC1CCC(COC(=O)OCC2CCC(COC(=O)OCC3CCOC(C)C3)CC2)CO1
InChIInChI=1S/C24H40O8/c1-17-3-4-22(15-28-17)16-32-24(26)30-13-20-7-5-19(6-8-20)12-29-23(25)31-14-21-9-10-27-18(2)11-21/h17-22H,3-16H2,1-2H3
InChIKeyYIQIWHOUPQHOTH-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.73
Rot. Bonds8

About [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate

[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate (PubChem CID 143933568) has the molecular formula C24H40O8 and a molecular weight of 456.58 g/mol. Its IUPAC name is [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate.

Molecular Properties

Compound Name[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate
PubChem CID143933568
Molecular FormulaC24H40O8
Molecular Weight456.58 g/mol
Exact Mass456.27
IUPAC Name[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate
SMILESCC1CCC(COC(=O)OCC2CCC(COC(=O)OCC3CCOC(C)C3)CC2)CO1
InChIInChI=1S/C24H40O8/c1-17-3-4-22(15-28-17)16-32-24(26)30-13-20-7-5-19(6-8-20)12-29-23(25)31-14-21-9-10-27-18(2)11-21/h17-22H,3-16H2,1-2H3
InChIKeyYIQIWHOUPQHOTH-UHFFFAOYSA-N
XLogP4.73
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate?
The IUPAC name of [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate (CID 143933568) is [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate.
What is the SMILES notation for [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate?
The canonical SMILES for [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate is CC1CCC(COC(=O)OCC2CCC(COC(=O)OCC3CCOC(C)C3)CC2)CO1.
What is the InChIKey of [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate?
The InChIKey is YIQIWHOUPQHOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O8/c1-17-3-4-22(15-28-17)16-32-24(26)30-13-20-7-5-19(6-8-20)12-29-23(25)31-14-21-9-10-27-18(2)11-21/h17-22H,3-16H2,1-2H3.
What are the key properties of [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate?
[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate has a molecular weight of 456.58 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate is sourced from PubChem (CID 143933568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).