pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol

C14H20O2 — CID 132508459

IUPACpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
SMILESOC12CC3CC4C5CC(CC41)CC2(O)C5C3
InChIInChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2
InChIKeyRGYCFRDBOFADMI-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.55
Rot. Bonds

About pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol

pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol (PubChem CID 132508459) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol.

Molecular Properties

Compound Namepentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
PubChem CID132508459
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namepentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
SMILESOC12CC3CC4C5CC(CC41)CC2(O)C5C3
InChIInChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2
InChIKeyRGYCFRDBOFADMI-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol 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 pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The IUPAC name of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol (CID 132508459) is pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol.
What is the SMILES notation for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The canonical SMILES for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol is OC12CC3CC4C5CC(CC41)CC2(O)C5C3.
What is the InChIKey of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The InChIKey is RGYCFRDBOFADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2.
What are the key properties of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol has a molecular weight of 220.31 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol is sourced from PubChem (CID 132508459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).