[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate

C15H23O5P — CID 102574215

IUPAC[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C15H23O5P/c1-4-18-21(17,19-5-2)20-14-8-6-7-12-11-13(16)9-10-15(12,14)3/h8,11H,4-7,9-10H2,1-3H3/t15-/m0/s1
InChIKeyPULJZFZRALWFSJ-HNNXBMFYSA-N
MW314.32 g/mol
LogP4.16
Rot. Bonds6

About [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate

[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate (PubChem CID 102574215) has the molecular formula C15H23O5P and a molecular weight of 314.32 g/mol. Its IUPAC name is [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate.

Molecular Properties

Compound Name[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate
PubChem CID102574215
Molecular FormulaC15H23O5P
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C15H23O5P/c1-4-18-21(17,19-5-2)20-14-8-6-7-12-11-13(16)9-10-15(12,14)3/h8,11H,4-7,9-10H2,1-3H3/t15-/m0/s1
InChIKeyPULJZFZRALWFSJ-HNNXBMFYSA-N
XLogP4.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] diethyl phosphate
CID 11069835
diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
CID 102268062
methyl 2-diethoxyphosphoryloxy-4,4-dimethylcyclohexene-1-carboxylate
CID 11023638
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
7a-methyl-6,7-dihydro-3H-2-benzofuran-1,5-dione
CID 71414168
[(1R,4S)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl] diethyl phosphate
CID 10642709
diethyl (2,3,4,5,6-pentafluorophenyl) phosphate
CID 15396735
2-(7-oxo-1,2,3,4,5,6-hexahydronaphthalen-4a-yl)ethyl methanesulfonate
CID 102215188
(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione
CID 59086393
2-benzyl-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 20503473
(6,6-dimethyl-3-oxocyclohexen-1-yl) propanoate
CID 18320090
2-diethoxyphosphoryl-5,5-dimethylcyclopent-2-en-1-one
CID 13431507

Frequently Asked Questions

What is the IUPAC name of [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate?
The IUPAC name of [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate (CID 102574215) is [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate.
What is the SMILES notation for [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate?
The canonical SMILES for [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate is CCOP(=O)(OCC)OC1=CCCC2=CC(=O)CC[C@@]21C.
What is the InChIKey of [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate?
The InChIKey is PULJZFZRALWFSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23O5P/c1-4-18-21(17,19-5-2)20-14-8-6-7-12-11-13(16)9-10-15(12,14)3/h8,11H,4-7,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate?
[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate has a molecular weight of 314.32 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate is sourced from PubChem (CID 102574215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).