tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol

C12H18O2 — CID 130146424

IUPACtetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
SMILESOC1CC2C(O)C1C1C3CCC(C3)C21
InChIInChI=1S/C12H18O2/c13-8-4-7-9-5-1-2-6(3-5)10(9)11(8)12(7)14/h5-14H,1-4H2
InChIKeyDHPYKLPDYXVJRZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.02
Rot. Bonds

About tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol

tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol (PubChem CID 130146424) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol.

Molecular Properties

Compound Nametetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
PubChem CID130146424
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nametetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
SMILESOC1CC2C(O)C1C1C3CCC(C3)C21
InChIInChI=1S/C12H18O2/c13-8-4-7-9-5-1-2-6(3-5)10(9)11(8)12(7)14/h5-14H,1-4H2
InChIKeyDHPYKLPDYXVJRZ-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol?
The IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol (CID 130146424) is tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol.
What is the SMILES notation for tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol?
The canonical SMILES for tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol is OC1CC2C(O)C1C1C3CCC(C3)C21.
What is the InChIKey of tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol?
The InChIKey is DHPYKLPDYXVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-8-4-7-9-5-1-2-6(3-5)10(9)11(8)12(7)14/h5-14H,1-4H2.
What are the key properties of tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol?
tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol has a molecular weight of 194.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol is sourced from PubChem (CID 130146424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).