5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene

C14H26NO2P — CID 142733319

IUPAC5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene
SMILESCCOP(N)(=O)C1(C(C)(C)C)C=C(C)C=C(C)C1
InChIInChI=1S/C14H26NO2P/c1-7-17-18(15,16)14(13(4,5)6)9-11(2)8-12(3)10-14/h8-9H,7,10H2,1-6H3,(H2,15,16)
InChIKeyLRGDNUVNSANGNO-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.26
Rot. Bonds3

About 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene

5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene (PubChem CID 142733319) has the molecular formula C14H26NO2P and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene
PubChem CID142733319
Molecular FormulaC14H26NO2P
Molecular Weight271.34 g/mol
Exact Mass271.17
IUPAC Name5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene
SMILESCCOP(N)(=O)C1(C(C)(C)C)C=C(C)C=C(C)C1
InChIInChI=1S/C14H26NO2P/c1-7-17-18(15,16)14(13(4,5)6)9-11(2)8-12(3)10-14/h8-9H,7,10H2,1-6H3,(H2,15,16)
InChIKeyLRGDNUVNSANGNO-UHFFFAOYSA-N
XLogP4.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diaminophosphoryloxyethane
CID 12620494
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
1,3,5-trimethylcyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88606925
2-diethoxyphosphoryl-5-(trifluoromethyl)aniline
CID 166609975
(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
CID 22212406
2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline
CID 101468435
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene
CID 157288182
trans-ethyl (1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]-1-methylcyclopropane-1-carboxylate
CID 101002671
ethyl 2-diethoxyphosphoryl-2-methyl-3-oxobutanoate
CID 164685818
tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
CID 99771569
1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152748812

Frequently Asked Questions

What is the IUPAC name of 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene (CID 142733319) is 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene is CCOP(N)(=O)C1(C(C)(C)C)C=C(C)C=C(C)C1.
What is the InChIKey of 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene?
The InChIKey is LRGDNUVNSANGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO2P/c1-7-17-18(15,16)14(13(4,5)6)9-11(2)8-12(3)10-14/h8-9H,7,10H2,1-6H3,(H2,15,16).
What are the key properties of 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene?
5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene has a molecular weight of 271.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(ethoxy)phosphoryl]-5-tert-butyl-1,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142733319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).