13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol

C18H29NO2 — CID 77440560

IUPAC13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
SMILESOC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C18H29NO2/c20-11-8-9-14-13(10-11)12-4-3-7-17-18(12)19(14)15-5-1-2-6-16(15)21-17/h11-18,20H,1-10H2
InChIKeyLJHPSRNHBHFEFE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.71
Rot. Bonds

About 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol

13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol (PubChem CID 77440560) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol.

Molecular Properties

Compound Name13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
PubChem CID77440560
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
SMILESOC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C18H29NO2/c20-11-8-9-14-13(10-11)12-4-3-7-17-18(12)19(14)15-5-1-2-6-16(15)21-17/h11-18,20H,1-10H2
InChIKeyLJHPSRNHBHFEFE-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The IUPAC name of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol (CID 77440560) is 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol.
What is the SMILES notation for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The canonical SMILES for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol is OC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31.
What is the InChIKey of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The InChIKey is LJHPSRNHBHFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-11-8-9-14-13(10-11)12-4-3-7-17-18(12)19(14)15-5-1-2-6-16(15)21-17/h11-18,20H,1-10H2.
What are the key properties of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol has a molecular weight of 291.44 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol is sourced from PubChem (CID 77440560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).