1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

C42H80O12Si7 — CID 4549737

IUPAC1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESO[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si](O)(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si](C1CCCCC1)(O2)O3
InChIInChI=1S/C42H80O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h36-45H,1-35H2
InChIKeyGAUUYVMFTLBDED-UHFFFAOYSA-N
MW973.69 g/mol
LogP11.07
Rot. Bonds7

About 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (PubChem CID 4549737) has the molecular formula C42H80O12Si7 and a molecular weight of 973.69 g/mol. Its IUPAC name is 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.

Molecular Properties

Compound Name1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
PubChem CID4549737
Molecular FormulaC42H80O12Si7
Molecular Weight973.69 g/mol
Exact Mass972.40
IUPAC Name1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESO[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si](O)(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si](C1CCCCC1)(O2)O3
InChIInChI=1S/C42H80O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h36-45H,1-35H2
InChIKeyGAUUYVMFTLBDED-UHFFFAOYSA-N
XLogP11.07
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.69
LogP ≤ 511.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane 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 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The IUPAC name of 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (CID 4549737) is 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.
What is the SMILES notation for 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The canonical SMILES for 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is O[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si](O)(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si](C1CCCCC1)(O2)O3.
What is the InChIKey of 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The InChIKey is GAUUYVMFTLBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h36-45H,1-35H2.
What are the key properties of 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane has a molecular weight of 973.69 g/mol, XLogP of 11.07, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is sourced from PubChem (CID 4549737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).