5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene

C24H32O — CID 91024593

IUPAC5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene
SMILESCCC1CCC2C1(C)CC=C1C=C3C(C)=C(C)C=CC34CC(C)C12O4
InChIInChI=1S/C24H32O/c1-6-18-7-8-21-22(18,5)11-10-19-13-20-17(4)15(2)9-12-23(20)14-16(3)24(19,21)25-23/h9-10,12-13,16,18,21H,6-8,11,14H2,1-5H3
InChIKeyJMJCLMSAZNHILZ-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.14
Rot. Bonds1

About 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene

5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene (PubChem CID 91024593) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene.

Molecular Properties

Compound Name5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene
PubChem CID91024593
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene
SMILESCCC1CCC2C1(C)CC=C1C=C3C(C)=C(C)C=CC34CC(C)C12O4
InChIInChI=1S/C24H32O/c1-6-18-7-8-21-22(18,5)11-10-19-13-20-17(4)15(2)9-12-23(20)14-16(3)24(19,21)25-23/h9-10,12-13,16,18,21H,6-8,11,14H2,1-5H3
InChIKeyJMJCLMSAZNHILZ-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene?
The IUPAC name of 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene (CID 91024593) is 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene.
What is the SMILES notation for 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene?
The canonical SMILES for 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene is CCC1CCC2C1(C)CC=C1C=C3C(C)=C(C)C=CC34CC(C)C12O4.
What is the InChIKey of 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene?
The InChIKey is JMJCLMSAZNHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-6-18-7-8-21-22(18,5)11-10-19-13-20-17(4)15(2)9-12-23(20)14-16(3)24(19,21)25-23/h9-10,12-13,16,18,21H,6-8,11,14H2,1-5H3.
What are the key properties of 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene?
5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene has a molecular weight of 336.52 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,12,13,18-tetramethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12,14-tetraene is sourced from PubChem (CID 91024593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).