(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene

C19H29NO2 — CID 10518558

IUPAC(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@@H]3[C@@H](C)[C@H]4C=C[C@]31O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-11-5-6-13-16(9-11)21-17-19-8-7-15(22-19)12(2)14(19)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
InChIKeyGIKCWOHQKKSEBZ-MSDLJSLESA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds

About (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene

(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene (PubChem CID 10518558) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene.

Molecular Properties

Compound Name(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene
PubChem CID10518558
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@@H]3[C@@H](C)[C@H]4C=C[C@]31O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-11-5-6-13-16(9-11)21-17-19-8-7-15(22-19)12(2)14(19)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
InChIKeyGIKCWOHQKKSEBZ-MSDLJSLESA-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 (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene?
The IUPAC name of (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene (CID 10518558) is (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene.
What is the SMILES notation for (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene?
The canonical SMILES for (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@@H]3[C@@H](C)[C@H]4C=C[C@]31O4)C2(C)C.
What is the InChIKey of (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene?
The InChIKey is GIKCWOHQKKSEBZ-MSDLJSLESA-N. The full InChI is InChI=1S/C19H29NO2/c1-11-5-6-13-16(9-11)21-17-19-8-7-15(22-19)12(2)14(19)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 (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene?
(1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]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 (1S,2S,4R,6R,9S,13S,14R,15R)-6,10,10,14-tetramethyl-3,18-dioxa-11-azapentacyclo[13.2.1.01,13.02,11.04,9]octadec-16-ene is sourced from PubChem (CID 10518558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).