(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate

C28H50O6 — CID 23324424

IUPAC(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate
SMILESCCC(C)C(OC(=O)OOC(=O)OC(C(C)CC)C(C)C1CCCCC1)C(C)C1CCCCC1
InChIInChI=1S/C28H50O6/c1-7-19(3)25(21(5)23-15-11-9-12-16-23)31-27(29)33-34-28(30)32-26(20(4)8-2)22(6)24-17-13-10-14-18-24/h19-26H,7-18H2,1-6H3
InChIKeyGRTQANWKEVNLCX-UHFFFAOYSA-N
MW482.70 g/mol
LogP8.47
Rot. Bonds10

About (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate

(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate (PubChem CID 23324424) has the molecular formula C28H50O6 and a molecular weight of 482.70 g/mol. Its IUPAC name is (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate
PubChem CID23324424
Molecular FormulaC28H50O6
Molecular Weight482.70 g/mol
Exact Mass482.36
IUPAC Name(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate
SMILESCCC(C)C(OC(=O)OOC(=O)OC(C(C)CC)C(C)C1CCCCC1)C(C)C1CCCCC1
InChIInChI=1S/C28H50O6/c1-7-19(3)25(21(5)23-15-11-9-12-16-23)31-27(29)33-34-28(30)32-26(20(4)8-2)22(6)24-17-13-10-14-18-24/h19-26H,7-18H2,1-6H3
InChIKeyGRTQANWKEVNLCX-UHFFFAOYSA-N
XLogP8.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.70
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate?
The IUPAC name of (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate (CID 23324424) is (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate.
What is the SMILES notation for (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate?
The canonical SMILES for (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate is CCC(C)C(OC(=O)OOC(=O)OC(C(C)CC)C(C)C1CCCCC1)C(C)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate?
The InChIKey is GRTQANWKEVNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O6/c1-7-19(3)25(21(5)23-15-11-9-12-16-23)31-27(29)33-34-28(30)32-26(20(4)8-2)22(6)24-17-13-10-14-18-24/h19-26H,7-18H2,1-6H3.
What are the key properties of (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate?
(2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate has a molecular weight of 482.70 g/mol, XLogP of 8.47, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methylhexan-3-yl) (2-cyclohexyl-4-methylhexan-3-yl)oxycarbonyloxy carbonate is sourced from PubChem (CID 23324424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).