tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate

About tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate

tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate (PubChem CID 21301982) has the molecular formula C28H42O6 and a molecular weight of 474.64 g/mol. Its IUPAC name is tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate.

Molecular Properties

Compound Name	tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate
PubChem CID	21301982
Molecular Formula	C28H42O6
Molecular Weight	474.64 g/mol
Exact Mass	474.30
IUPAC Name	tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate
SMILES	CC1CC2C3CC(OC=O)C(C3)C2OC1C1CC2C3CC(C(=O)OC(C)(C)C)C(C3)C2OC1C
InChI	InChI=1S/C28H42O6/c1-13-6-18-16-9-22(23(10-16)31-12-29)26(18)33-24(13)17-11-19-15-7-20(25(19)32-14(17)2)21(8-15)27(30)34-28(3,4)5/h12-26H,6-11H2,1-5H3
InChIKey	VOQLSAOFUKREHE-UHFFFAOYSA-N
XLogP	4.39
TPSA	71.06 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.64
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate?

The IUPAC name of tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate (CID 21301982) is tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate.

What is the SMILES notation for tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate?

The canonical SMILES for tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate is CC1CC2C3CC(OC=O)C(C3)C2OC1C1CC2C3CC(C(=O)OC(C)(C)C)C(C3)C2OC1C.

What is the InChIKey of tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate?

The InChIKey is VOQLSAOFUKREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O6/c1-13-6-18-16-9-22(23(10-16)31-12-29)26(18)33-24(13)17-11-19-15-7-20(25(19)32-14(17)2)21(8-15)27(30)34-28(3,4)5/h12-26H,6-11H2,1-5H3.

What are the key properties of tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate?

tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate has a molecular weight of 474.64 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-(10-formyloxy-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl)-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane-10-carboxylate is sourced from PubChem (CID 21301982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).