3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene

C11H22O7P2 — CID 15108738

IUPAC3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene
SMILESCOP(=O)(OC)C(OC1C=CCCC1)P(=O)(OC)OC
InChIInChI=1S/C11H22O7P2/c1-14-19(12,15-2)11(20(13,16-3)17-4)18-10-8-6-5-7-9-10/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyYWEYUSJGQILRMK-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.37
Rot. Bonds8

About 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene

3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene (PubChem CID 15108738) has the molecular formula C11H22O7P2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene.

Molecular Properties

Compound Name3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene
PubChem CID15108738
Molecular FormulaC11H22O7P2
Molecular Weight328.24 g/mol
Exact Mass328.08
IUPAC Name3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene
SMILESCOP(=O)(OC)C(OC1C=CCCC1)P(=O)(OC)OC
InChIInChI=1S/C11H22O7P2/c1-14-19(12,15-2)11(20(13,16-3)17-4)18-10-8-6-5-7-9-10/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyYWEYUSJGQILRMK-UHFFFAOYSA-N
XLogP3.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-2-en-1-yloxyethanol
CID 143838832
3-(1-dimethoxyphosphorylethenoxy)cyclohexene
CID 15108739
3-(3-methoxypropoxy)cyclohexene
CID 141179589
(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide
CID 11106010
cyclohex-2-en-1-yl hypoiodite
CID 154559496
3-(2-cyclohex-2-en-1-yloxypropan-2-yloxy)cyclohexene
CID 141430712
cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohex-2-en-1-yl 2-bromo-3,3-bis(methylsulfanyl)prop-2-enoate
CID 15933127
cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
CID 129364890
cyclohex-2-en-1-yl propanoate
CID 10986464
3-(1-butoxy-2-iodoethoxy)cyclohexene
CID 10990946

Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene?
The IUPAC name of 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene (CID 15108738) is 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene.
What is the SMILES notation for 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene?
The canonical SMILES for 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene is COP(=O)(OC)C(OC1C=CCCC1)P(=O)(OC)OC.
What is the InChIKey of 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene?
The InChIKey is YWEYUSJGQILRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7P2/c1-14-19(12,15-2)11(20(13,16-3)17-4)18-10-8-6-5-7-9-10/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene?
3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene has a molecular weight of 328.24 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene is sourced from PubChem (CID 15108738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).