10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane

C28H44O2 — CID 71095798

IUPAC10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane
SMILESC1CC2C(C1)C1CCC2C1OCC1CCC(COC2C3CCC2C2CCCC23)CC1
InChIInChI=1S/C28H44O2/c1-3-19-20(4-1)24-12-11-23(19)27(24)29-15-17-7-9-18(10-8-17)16-30-28-25-13-14-26(28)22-6-2-5-21(22)25/h17-28H,1-16H2
InChIKeyRUXBOZXOUWZZTE-UHFFFAOYSA-N
MW412.66 g/mol
LogP6.48
Rot. Bonds6

About 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane

10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane (PubChem CID 71095798) has the molecular formula C28H44O2 and a molecular weight of 412.66 g/mol. Its IUPAC name is 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane
PubChem CID71095798
Molecular FormulaC28H44O2
Molecular Weight412.66 g/mol
Exact Mass412.33
IUPAC Name10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane
SMILESC1CC2C(C1)C1CCC2C1OCC1CCC(COC2C3CCC2C2CCCC23)CC1
InChIInChI=1S/C28H44O2/c1-3-19-20(4-1)24-12-11-23(19)27(24)29-15-17-7-9-18(10-8-17)16-30-28-25-13-14-26(28)22-6-2-5-21(22)25/h17-28H,1-16H2
InChIKeyRUXBOZXOUWZZTE-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane?
The IUPAC name of 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane (CID 71095798) is 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane is C1CC2C(C1)C1CCC2C1OCC1CCC(COC2C3CCC2C2CCCC23)CC1.
What is the InChIKey of 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane?
The InChIKey is RUXBOZXOUWZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2/c1-3-19-20(4-1)24-12-11-23(19)27(24)29-15-17-7-9-18(10-8-17)16-30-28-25-13-14-26(28)22-6-2-5-21(22)25/h17-28H,1-16H2.
What are the key properties of 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane?
10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane has a molecular weight of 412.66 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[4-(10-tricyclo[5.2.1.02,6]decanyloxymethyl)cyclohexyl]methoxy]tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).