1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene

C20H32O — CID 73209089

IUPAC1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
SMILESC=C(C)C1CCC(C)=CCCC(C)=CCCC2(C)OC2C1
InChIInChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3
InChIKeyKEOMEGAHKSPEBP-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.97
Rot. Bonds1

About 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene

1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene (PubChem CID 73209089) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene.

Molecular Properties

Compound Name1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
PubChem CID73209089
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
SMILESC=C(C)C1CCC(C)=CCCC(C)=CCCC2(C)OC2C1
InChIInChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3
InChIKeyKEOMEGAHKSPEBP-UHFFFAOYSA-N
XLogP5.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene?
The IUPAC name of 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene (CID 73209089) is 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene.
What is the SMILES notation for 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene?
The canonical SMILES for 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene is C=C(C)C1CCC(C)=CCCC(C)=CCCC2(C)OC2C1.
What is the InChIKey of 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene?
The InChIKey is KEOMEGAHKSPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3.
What are the key properties of 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene?
1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene has a molecular weight of 288.47 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene is sourced from PubChem (CID 73209089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).