diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate

C11H23O4P — CID 10988693

IUPACdiethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C(C)C
InChIInChI=1S/C11H23O4P/c1-6-9-11(10(4)5)15-16(12,13-7-2)14-8-3/h6,9-11H,7-8H2,1-5H3/b9-6+/t11-/m0/s1
InChIKeyWMQRTIRVQBENHX-LAHYYIKRSA-N
MW250.27 g/mol
LogP3.78
Rot. Bonds8

About diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate

diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate (PubChem CID 10988693) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate.

Molecular Properties

Compound Namediethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
PubChem CID10988693
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namediethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C(C)C
InChIInChI=1S/C11H23O4P/c1-6-9-11(10(4)5)15-16(12,13-7-2)14-8-3/h6,9-11H,7-8H2,1-5H3/b9-6+/t11-/m0/s1
InChIKeyWMQRTIRVQBENHX-LAHYYIKRSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.78
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

4,8-Dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate
CID 91272571
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
diethyl [(Z)-hex-2-enyl] phosphate
CID 14415553
diethyl [(E)-hex-2-enyl] phosphate
CID 14415554
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470
[(E)-4,4-dimethylpent-2-enyl] diethyl phosphate
CID 125475979
diethyl [(E)-4-methylpent-2-enyl] phosphate
CID 125476537
[(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] diethyl phosphate
CID 134842119
diethyl [(1S,5R)-5-methylcyclohex-2-en-1-yl] phosphate
CID 134860073
diethyl [(E)-non-5-en-4-yl] phosphate
CID 134891116
diethyl [(E)-hept-3-en-2-yl] phosphate
CID 134891133

Frequently Asked Questions

What is the IUPAC name of diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate?
The IUPAC name of diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate (CID 10988693) is diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate.
What is the SMILES notation for diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate?
The canonical SMILES for diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate is C/C=C/[C@H](OP(=O)(OCC)OCC)C(C)C.
What is the InChIKey of diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate?
The InChIKey is WMQRTIRVQBENHX-LAHYYIKRSA-N. The full InChI is InChI=1S/C11H23O4P/c1-6-9-11(10(4)5)15-16(12,13-7-2)14-8-3/h6,9-11H,7-8H2,1-5H3/b9-6+/t11-/m0/s1.
What are the key properties of diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate?
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate has a molecular weight of 250.27 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate is sourced from PubChem (CID 10988693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).