(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene

C19H29NO2 — CID 101018314

IUPAC(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@@H]3[C@@H](C)[C@H]4C=C[C@@]3(CN1C2(C)C)O4
InChIInChI=1S/C19H29NO2/c1-11-5-6-13-15(9-11)21-17-16-12(2)14-7-8-19(16,22-14)10-20(17)18(13,3)4/h7-8,11-17H,5-6,9-10H2,1-4H3/t11-,12+,13-,14-,15-,16+,17+,19+/m1/s1
InChIKeyFIUSXBBEACIPPO-SQHVCIQUSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds

About (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene

(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene (PubChem CID 101018314) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene.

Molecular Properties

Compound Name(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
PubChem CID101018314
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@@H]3[C@@H](C)[C@H]4C=C[C@@]3(CN1C2(C)C)O4
InChIInChI=1S/C19H29NO2/c1-11-5-6-13-15(9-11)21-17-16-12(2)14-7-8-19(16,22-14)10-20(17)18(13,3)4/h7-8,11-17H,5-6,9-10H2,1-4H3/t11-,12+,13-,14-,15-,16+,17+,19+/m1/s1
InChIKeyFIUSXBBEACIPPO-SQHVCIQUSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The IUPAC name of (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene (CID 101018314) is (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene.
What is the SMILES notation for (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The canonical SMILES for (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@@H]3[C@@H](C)[C@H]4C=C[C@@]3(CN1C2(C)C)O4.
What is the InChIKey of (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The InChIKey is FIUSXBBEACIPPO-SQHVCIQUSA-N. The full InChI is InChI=1S/C19H29NO2/c1-11-5-6-13-15(9-11)21-17-16-12(2)14-7-8-19(16,22-14)10-20(17)18(13,3)4/h7-8,11-17H,5-6,9-10H2,1-4H3/t11-,12+,13-,14-,15-,16+,17+,19+/m1/s1.
What are the key properties of (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
(1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene has a molecular weight of 303.45 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8R,10R,12S,13R,14R,15R)-4,4,8,14-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene is sourced from PubChem (CID 101018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).