15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol

C16H25NO2 — CID 73209509

IUPAC15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol
SMILESCC1=CC2C(O)C(O)C3CCCN4CCCC2C34C1
InChIInChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3
InChIKeyQNTZOBVSDAZRHK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.55
Rot. Bonds

About 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol

15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol (PubChem CID 73209509) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol.

Molecular Properties

Compound Name15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol
PubChem CID73209509
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol
SMILESCC1=CC2C(O)C(O)C3CCCN4CCCC2C34C1
InChIInChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3
InChIKeyQNTZOBVSDAZRHK-UHFFFAOYSA-N
XLogP1.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol?
The IUPAC name of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol (CID 73209509) is 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol.
What is the SMILES notation for 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol?
The canonical SMILES for 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol is CC1=CC2C(O)C(O)C3CCCN4CCCC2C34C1.
What is the InChIKey of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol?
The InChIKey is QNTZOBVSDAZRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3.
What are the key properties of 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol?
15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol has a molecular weight of 263.38 g/mol, XLogP of 1.55, 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]hexadec-14-ene-11,12-diol is sourced from PubChem (CID 73209509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).