(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene

C20H30O3 — CID 11844356

IUPAC(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene
SMILESC/C1=C\[C@H]2OC[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H30O3/c1-14-6-5-10-18(3)16(22-18)8-7-15(2)12-17-20(11-9-14)19(4,23-20)13-21-17/h6,12,16-17H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t16-,17+,18-,19+,20-/m0/s1
InChIKeySINIBGHULULTLM-LWLWWNTNSA-N
MW318.46 g/mol
LogP4.32
Rot. Bonds

About (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene

(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene (PubChem CID 11844356) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene.

Molecular Properties

Compound Name(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene
PubChem CID11844356
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene
SMILESC/C1=C\[C@H]2OC[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H30O3/c1-14-6-5-10-18(3)16(22-18)8-7-15(2)12-17-20(11-9-14)19(4,23-20)13-21-17/h6,12,16-17H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t16-,17+,18-,19+,20-/m0/s1
InChIKeySINIBGHULULTLM-LWLWWNTNSA-N
XLogP4.32
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene?
The IUPAC name of (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene (CID 11844356) is (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene.
What is the SMILES notation for (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene?
The canonical SMILES for (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene is C/C1=C\[C@H]2OC[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1.
What is the InChIKey of (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene?
The InChIKey is SINIBGHULULTLM-LWLWWNTNSA-N. The full InChI is InChI=1S/C20H30O3/c1-14-6-5-10-18(3)16(22-18)8-7-15(2)12-17-20(11-9-14)19(4,23-20)13-21-17/h6,12,16-17H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t16-,17+,18-,19+,20-/m0/s1.
What are the key properties of (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene?
(1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene has a molecular weight of 318.46 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,8S,10S,13E,15R,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-diene is sourced from PubChem (CID 11844356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).