diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate

C14H27O4P — CID 101332558

IUPACdiethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate
SMILESCCOP(=O)(OCC)OC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-14(4,5)13-10-8-12(3)9-11-13/h8,13H,6-7,9-11H2,1-5H3
InChIKeyAOIZYCFSUFJIIU-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.71
Rot. Bonds7

About diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate

diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate (PubChem CID 101332558) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate.

Molecular Properties

Compound Namediethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate
PubChem CID101332558
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Namediethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate
SMILESCCOP(=O)(OCC)OC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-14(4,5)13-10-8-12(3)9-11-13/h8,13H,6-7,9-11H2,1-5H3
InChIKeyAOIZYCFSUFJIIU-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.71
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 phosphate dianion
CID 46906034
[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
CID 137642186
6,7-Dihydrogeranyl pyrophosphate
CID 483412
Phosphorothioic acid, O,O-dimethyl O-p-menth-1-en-8-yl ester
CID 205680
[(3S)-3,7-dimethyloct-6-enyl] dihydrogen phosphate
CID 137652277
(3s,6e)-3,7,11-Trimethyldodeca-6,10-Dien-1-Yl Trihydrogen Diphosphate
CID 137348141
[(E)-3,8-dimethyldec-7-enyl] phosphono hydrogen phosphate
CID 5462166
alpha-Terpinyl pyrophosphate
CID 197489
3,7-Dimethyloct-6-enyl dihydrogen phosphate
CID 10105516
3,7-Dimethyloct-6-enyl phosphate
CID 22742052
8-[Dimethoxyphosphorylmethyl(methoxy)phosphoryl]oxy-2,6-dimethyloct-2-ene
CID 395718

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate?
The IUPAC name of diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate (CID 101332558) is diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate.
What is the SMILES notation for diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate?
The canonical SMILES for diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate is CCOP(=O)(OCC)OC(C)(C)C1CC=C(C)CC1.
What is the InChIKey of diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate?
The InChIKey is AOIZYCFSUFJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-14(4,5)13-10-8-12(3)9-11-13/h8,13H,6-7,9-11H2,1-5H3.
What are the key properties of diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate?
diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate has a molecular weight of 290.34 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphate is sourced from PubChem (CID 101332558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).