4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol

C28H48O7P2 — CID 19767561

IUPAC4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCOP(=O)(OCCC)C(=Cc1cc(C(C)(C)C)c(O)c2c1CCCC2)P(=O)(OCCC)OCCC
InChIInChI=1S/C28H48O7P2/c1-8-16-32-36(30,33-17-9-2)26(37(31,34-18-10-3)35-19-11-4)21-22-20-25(28(5,6)7)27(29)24-15-13-12-14-23(22)24/h20-21,29H,8-19H2,1-7H3
InChIKeyUSTZMPUIXOWBDK-UHFFFAOYSA-N
MW558.63 g/mol
LogP8.96
Rot. Bonds15

About 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol

4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 19767561) has the molecular formula C28H48O7P2 and a molecular weight of 558.63 g/mol. Its IUPAC name is 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID19767561
Molecular FormulaC28H48O7P2
Molecular Weight558.63 g/mol
Exact Mass558.29
IUPAC Name4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCOP(=O)(OCCC)C(=Cc1cc(C(C)(C)C)c(O)c2c1CCCC2)P(=O)(OCCC)OCCC
InChIInChI=1S/C28H48O7P2/c1-8-16-32-36(30,33-17-9-2)26(37(31,34-18-10-3)35-19-11-4)21-22-20-25(28(5,6)7)27(29)24-15-13-12-14-23(22)24/h20-21,29H,8-19H2,1-7H3
InChIKeyUSTZMPUIXOWBDK-UHFFFAOYSA-N
XLogP8.96
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 19767561) is 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol is CCCOP(=O)(OCCC)C(=Cc1cc(C(C)(C)C)c(O)c2c1CCCC2)P(=O)(OCCC)OCCC.
What is the InChIKey of 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is USTZMPUIXOWBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O7P2/c1-8-16-32-36(30,33-17-9-2)26(37(31,34-18-10-3)35-19-11-4)21-22-20-25(28(5,6)7)27(29)24-15-13-12-14-23(22)24/h20-21,29H,8-19H2,1-7H3.
What are the key properties of 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol?
4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 558.63 g/mol, XLogP of 8.96, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(dipropoxyphosphoryl)ethenyl]-2-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 19767561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).