bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

C26H40O6 — CID 20622004

IUPACbis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCCC1CC(C)C2C3CC(C(C(=O)OC4CCCCO4)C3C(=O)OC3CCCCO3)C12
InChIInChI=1S/C26H40O6/c1-3-8-16-13-15(2)21-17-14-18(22(16)21)24(26(28)32-20-10-5-7-12-30-20)23(17)25(27)31-19-9-4-6-11-29-19/h15-24H,3-14H2,1-2H3
InChIKeyLALZXLIIERHOKH-UHFFFAOYSA-N
MW448.60 g/mol
LogP4.70
Rot. Bonds6

About bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (PubChem CID 20622004) has the molecular formula C26H40O6 and a molecular weight of 448.60 g/mol. Its IUPAC name is bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.

Molecular Properties

Compound Namebis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
PubChem CID20622004
Molecular FormulaC26H40O6
Molecular Weight448.60 g/mol
Exact Mass448.28
IUPAC Namebis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCCC1CC(C)C2C3CC(C(C(=O)OC4CCCCO4)C3C(=O)OC3CCCCO3)C12
InChIInChI=1S/C26H40O6/c1-3-8-16-13-15(2)21-17-14-18(22(16)21)24(26(28)32-20-10-5-7-12-30-20)23(17)25(27)31-19-9-4-6-11-29-19/h15-24H,3-14H2,1-2H3
InChIKeyLALZXLIIERHOKH-UHFFFAOYSA-N
XLogP4.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate with MolForge

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Related Compounds

Oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20621998
Oxan-2-yl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20622003
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
CID 20657362
1-Ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
CID 20657367
1-Ethoxyethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20661464
Oxan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 20698007
1-Ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20743843
1-Ethoxyethyl 3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoate
CID 21351592
Oxan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 21351609
Oxan-2-yl 2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
CID 21351631
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 22895761
Oxan-2-yl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
CID 23381997

Frequently Asked Questions

What is the IUPAC name of bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The IUPAC name of bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (CID 20622004) is bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.
What is the SMILES notation for bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The canonical SMILES for bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is CCCC1CC(C)C2C3CC(C(C(=O)OC4CCCCO4)C3C(=O)OC3CCCCO3)C12.
What is the InChIKey of bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The InChIKey is LALZXLIIERHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O6/c1-3-8-16-13-15(2)21-17-14-18(22(16)21)24(26(28)32-20-10-5-7-12-30-20)23(17)25(27)31-19-9-4-6-11-29-19/h15-24H,3-14H2,1-2H3.
What are the key properties of bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate has a molecular weight of 448.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is sourced from PubChem (CID 20622004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).