5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol

C20H29O5P — CID 11523755

IUPAC5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol
SMILESCOP(=O)(CCCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1)OC
InChIInChI=1S/C20H29O5P/c1-20(8-4-10-26(22,23-2)24-3)9-7-15-12-16(21)17-13-5-6-14(11-13)18(17)19(15)25-20/h12-14,21H,4-11H2,1-3H3
InChIKeyMCVDOZAXOOWVCP-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.11
Rot. Bonds6

About 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol

5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol (PubChem CID 11523755) has the molecular formula C20H29O5P and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol.

Molecular Properties

Compound Name5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol
PubChem CID11523755
Molecular FormulaC20H29O5P
Molecular Weight380.42 g/mol
Exact Mass380.18
IUPAC Name5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol
SMILESCOP(=O)(CCCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1)OC
InChIInChI=1S/C20H29O5P/c1-20(8-4-10-26(22,23-2)24-3)9-7-15-12-16(21)17-13-5-6-14(11-13)18(17)19(15)25-20/h12-14,21H,4-11H2,1-3H3
InChIKeyMCVDOZAXOOWVCP-UHFFFAOYSA-N
XLogP5.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol?
The IUPAC name of 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol (CID 11523755) is 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol.
What is the SMILES notation for 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol?
The canonical SMILES for 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol is COP(=O)(CCCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1)OC.
What is the InChIKey of 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol?
The InChIKey is MCVDOZAXOOWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29O5P/c1-20(8-4-10-26(22,23-2)24-3)9-7-15-12-16(21)17-13-5-6-14(11-13)18(17)19(15)25-20/h12-14,21H,4-11H2,1-3H3.
What are the key properties of 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol?
5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol has a molecular weight of 380.42 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dimethoxyphosphorylpropyl)-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-ol is sourced from PubChem (CID 11523755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).