10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

C19H21O3P — CID 59790408

IUPAC10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESC=C(CC)COP1OCc2ccccc2-c2ccccc2CO1
InChIInChI=1S/C19H21O3P/c1-3-15(2)12-20-23-21-13-16-8-4-6-10-18(16)19-11-7-5-9-17(19)14-22-23/h4-11H,2-3,12-14H2,1H3
InChIKeyYGTPDYSUYZTOTN-UHFFFAOYSA-N
MW328.35 g/mol
LogP5.61
Rot. Bonds4

About 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (PubChem CID 59790408) has the molecular formula C19H21O3P and a molecular weight of 328.35 g/mol. Its IUPAC name is 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
PubChem CID59790408
Molecular FormulaC19H21O3P
Molecular Weight328.35 g/mol
Exact Mass328.12
IUPAC Name10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESC=C(CC)COP1OCc2ccccc2-c2ccccc2CO1
InChIInChI=1S/C19H21O3P/c1-3-15(2)12-20-23-21-13-16-8-4-6-10-18(16)19-11-7-5-9-17(19)14-22-23/h4-11H,2-3,12-14H2,1H3
InChIKeyYGTPDYSUYZTOTN-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.35
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The IUPAC name of 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (CID 59790408) is 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.
What is the SMILES notation for 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The canonical SMILES for 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is C=C(CC)COP1OCc2ccccc2-c2ccccc2CO1.
What is the InChIKey of 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The InChIKey is YGTPDYSUYZTOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O3P/c1-3-15(2)12-20-23-21-13-16-8-4-6-10-18(16)19-11-7-5-9-17(19)14-22-23/h4-11H,2-3,12-14H2,1H3.
What are the key properties of 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene has a molecular weight of 328.35 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is sourced from PubChem (CID 59790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).