dimethyl (2-methylidenecyclooctyl) phosphate

C11H21O4P — CID 102091122

IUPACdimethyl (2-methylidenecyclooctyl) phosphate
SMILESC=C1CCCCCCC1OP(=O)(OC)OC
InChIInChI=1S/C11H21O4P/c1-10-8-6-4-5-7-9-11(10)15-16(12,13-2)14-3/h11H,1,4-9H2,2-3H3
InChIKeyAIMBHOLLEXXOBR-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds4

About dimethyl (2-methylidenecyclooctyl) phosphate

dimethyl (2-methylidenecyclooctyl) phosphate (PubChem CID 102091122) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is dimethyl (2-methylidenecyclooctyl) phosphate.

Molecular Properties

Compound Namedimethyl (2-methylidenecyclooctyl) phosphate
PubChem CID102091122
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Namedimethyl (2-methylidenecyclooctyl) phosphate
SMILESC=C1CCCCCCC1OP(=O)(OC)OC
InChIInChI=1S/C11H21O4P/c1-10-8-6-4-5-7-9-11(10)15-16(12,13-2)14-3/h11H,1,4-9H2,2-3H3
InChIKeyAIMBHOLLEXXOBR-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of dimethyl (2-methylidenecyclooctyl) phosphate?
The IUPAC name of dimethyl (2-methylidenecyclooctyl) phosphate (CID 102091122) is dimethyl (2-methylidenecyclooctyl) phosphate.
What is the SMILES notation for dimethyl (2-methylidenecyclooctyl) phosphate?
The canonical SMILES for dimethyl (2-methylidenecyclooctyl) phosphate is C=C1CCCCCCC1OP(=O)(OC)OC.
What is the InChIKey of dimethyl (2-methylidenecyclooctyl) phosphate?
The InChIKey is AIMBHOLLEXXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-10-8-6-4-5-7-9-11(10)15-16(12,13-2)14-3/h11H,1,4-9H2,2-3H3.
What are the key properties of dimethyl (2-methylidenecyclooctyl) phosphate?
dimethyl (2-methylidenecyclooctyl) phosphate has a molecular weight of 248.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2-methylidenecyclooctyl) phosphate is sourced from PubChem (CID 102091122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).