1-diethoxyphosphoryl-2-methoxycyclohexene

C11H21O4P — CID 10933847

IUPAC1-diethoxyphosphoryl-2-methoxycyclohexene
SMILESCCOP(=O)(OCC)C1=C(OC)CCCC1
InChIInChI=1S/C11H21O4P/c1-4-14-16(12,15-5-2)11-9-7-6-8-10(11)13-3/h4-9H2,1-3H3
InChIKeyDLWDSQBKTYHPKG-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds6

About 1-diethoxyphosphoryl-2-methoxycyclohexene

1-diethoxyphosphoryl-2-methoxycyclohexene (PubChem CID 10933847) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-methoxycyclohexene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-methoxycyclohexene
PubChem CID10933847
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name1-diethoxyphosphoryl-2-methoxycyclohexene
SMILESCCOP(=O)(OCC)C1=C(OC)CCCC1
InChIInChI=1S/C11H21O4P/c1-4-14-16(12,15-5-2)11-9-7-6-8-10(11)13-3/h4-9H2,1-3H3
InChIKeyDLWDSQBKTYHPKG-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-methoxycyclohexene?
The IUPAC name of 1-diethoxyphosphoryl-2-methoxycyclohexene (CID 10933847) is 1-diethoxyphosphoryl-2-methoxycyclohexene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-methoxycyclohexene?
The canonical SMILES for 1-diethoxyphosphoryl-2-methoxycyclohexene is CCOP(=O)(OCC)C1=C(OC)CCCC1.
What is the InChIKey of 1-diethoxyphosphoryl-2-methoxycyclohexene?
The InChIKey is DLWDSQBKTYHPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-4-14-16(12,15-5-2)11-9-7-6-8-10(11)13-3/h4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-methoxycyclohexene?
1-diethoxyphosphoryl-2-methoxycyclohexene has a molecular weight of 248.26 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-methoxycyclohexene is sourced from PubChem (CID 10933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).