15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol

C16H27NO2 — CID 14589221

IUPAC15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
SMILESCC1CC2C(O)C(O)C3CCCN4CCCC2C34C1
InChIInChI=1S/C16H27NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-15,18-19H,2-9H2,1H3
InChIKeyOCUUNZFHCCKHPB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.63
Rot. Bonds

About 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol

15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol (PubChem CID 14589221) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol.

Molecular Properties

Compound Name15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
PubChem CID14589221
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
SMILESCC1CC2C(O)C(O)C3CCCN4CCCC2C34C1
InChIInChI=1S/C16H27NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-15,18-19H,2-9H2,1H3
InChIKeyOCUUNZFHCCKHPB-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol?
The IUPAC name of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol (CID 14589221) is 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol.
What is the SMILES notation for 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol?
The canonical SMILES for 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol is CC1CC2C(O)C(O)C3CCCN4CCCC2C34C1.
What is the InChIKey of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol?
The InChIKey is OCUUNZFHCCKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-15,18-19H,2-9H2,1H3.
What are the key properties of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol?
15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol has a molecular weight of 265.40 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol is sourced from PubChem (CID 14589221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).