1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane

C20H32O2 — CID 14610797

IUPAC1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane
SMILESCC(C)=C1CCC2(C)CC3OC3(C)CCC3OC3(C)CCC12
InChIInChI=1S/C20H32O2/c1-13(2)14-6-9-18(3)12-17-20(5,22-17)11-8-16-19(4,21-16)10-7-15(14)18/h15-17H,6-12H2,1-5H3
InChIKeyYCYTXPVBLZUFNT-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.02
Rot. Bonds

About 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane

1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane (PubChem CID 14610797) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane.

Molecular Properties

Compound Name1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane
PubChem CID14610797
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane
SMILESCC(C)=C1CCC2(C)CC3OC3(C)CCC3OC3(C)CCC12
InChIInChI=1S/C20H32O2/c1-13(2)14-6-9-18(3)12-17-20(5,22-17)11-8-16-19(4,21-16)10-7-15(14)18/h15-17H,6-12H2,1-5H3
InChIKeyYCYTXPVBLZUFNT-UHFFFAOYSA-N
XLogP5.02
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane?
The IUPAC name of 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane (CID 14610797) is 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane.
What is the SMILES notation for 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane?
The canonical SMILES for 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane is CC(C)=C1CCC2(C)CC3OC3(C)CCC3OC3(C)CCC12.
What is the InChIKey of 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane?
The InChIKey is YCYTXPVBLZUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-13(2)14-6-9-18(3)12-17-20(5,22-17)11-8-16-19(4,21-16)10-7-15(14)18/h15-17H,6-12H2,1-5H3.
What are the key properties of 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane?
1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane has a molecular weight of 304.47 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,10-trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecane is sourced from PubChem (CID 14610797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).