[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate

C16H31O4P — CID 134939360

IUPAC[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate
SMILESC=C[C@@H](C[C@@H](C)CCC=C(C)C)OP(=O)(OCC)OCC
InChIInChI=1S/C16H31O4P/c1-7-16(13-15(6)12-10-11-14(4)5)20-21(17,18-8-2)19-9-3/h7,11,15-16H,1,8-10,12-13H2,2-6H3/t15-,16-/m0/s1
InChIKeyMRKBGMZCQQMAOP-HOTGVXAUSA-N
MW318.39 g/mol
LogP5.51
Rot. Bonds12

About [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate

[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate (PubChem CID 134939360) has the molecular formula C16H31O4P and a molecular weight of 318.39 g/mol. Its IUPAC name is [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate.

Molecular Properties

Compound Name[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate
PubChem CID134939360
Molecular FormulaC16H31O4P
Molecular Weight318.39 g/mol
Exact Mass318.20
IUPAC Name[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate
SMILESC=C[C@@H](C[C@@H](C)CCC=C(C)C)OP(=O)(OCC)OCC
InChIInChI=1S/C16H31O4P/c1-7-16(13-15(6)12-10-11-14(4)5)20-21(17,18-8-2)19-9-3/h7,11,15-16H,1,8-10,12-13H2,2-6H3/t15-,16-/m0/s1
InChIKeyMRKBGMZCQQMAOP-HOTGVXAUSA-N
XLogP5.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dolichol phosphate
CID 5280322
Dolichyl diphosphate
CID 24892721
Dolichyl-4 phosphate
CID 24892715
Dolichyl phosphate dianion
CID 46906034
[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
CID 137642186
6,7-Dihydrogeranyl pyrophosphate
CID 483412
Dolichyl diphosphate trianion
CID 46878381
Dolichol-pp
CID 155804591
[(3S)-3,7-dimethyloct-6-enyl] dihydrogen phosphate
CID 137652277
Dihydrodecaprenyl phosphate
CID 6438820
Dihydroheptaprenyl phosphate
CID 6441968
[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] dihydrogen phosphate
CID 92854264

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate?
The IUPAC name of [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate (CID 134939360) is [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate.
What is the SMILES notation for [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate?
The canonical SMILES for [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate is C=C[C@@H](C[C@@H](C)CCC=C(C)C)OP(=O)(OCC)OCC.
What is the InChIKey of [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate?
The InChIKey is MRKBGMZCQQMAOP-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H31O4P/c1-7-16(13-15(6)12-10-11-14(4)5)20-21(17,18-8-2)19-9-3/h7,11,15-16H,1,8-10,12-13H2,2-6H3/t15-,16-/m0/s1.
What are the key properties of [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate?
[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate has a molecular weight of 318.39 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate is sourced from PubChem (CID 134939360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).