1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane

C15H30O6P2 — CID 102483175

IUPAC1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane
SMILESC=C1CC(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)CC1C
InChIInChI=1S/C15H30O6P2/c1-7-18-22(16,19-8-2)15(11-13(5)14(6)12-15)23(17,20-9-3)21-10-4/h14H,5,7-12H2,1-4,6H3
InChIKeyIGMNRBPHKBQQGR-UHFFFAOYSA-N
MW368.35 g/mol
LogP5.20
Rot. Bonds10

About 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane

1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane (PubChem CID 102483175) has the molecular formula C15H30O6P2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane
PubChem CID102483175
Molecular FormulaC15H30O6P2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC Name1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane
SMILESC=C1CC(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)CC1C
InChIInChI=1S/C15H30O6P2/c1-7-18-22(16,19-8-2)15(11-13(5)14(6)12-15)23(17,20-9-3)21-10-4/h14H,5,7-12H2,1-4,6H3
InChIKeyIGMNRBPHKBQQGR-UHFFFAOYSA-N
XLogP5.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
CID 22212406
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine
CID 59127622
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine;cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 123953131
N-(1-diethoxyphosphoryl-2-ethenylcyclopropyl)-1-phenylmethanimine
CID 72524248
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
CID 58212588
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
2-but-3-enyl-2-diethoxyphosphoryl-1,3-dithiane
CID 12966348
cis-(1S,2S)-1-diethoxyphosphoryl-2-methyl-N-[(1R)-1-phenylethyl]cyclopropan-1-amine
CID 10781332
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane (CID 102483175) is 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane is C=C1CC(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)CC1C.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane?
The InChIKey is IGMNRBPHKBQQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6P2/c1-7-18-22(16,19-8-2)15(11-13(5)14(6)12-15)23(17,20-9-3)21-10-4/h14H,5,7-12H2,1-4,6H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane?
1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane has a molecular weight of 368.35 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane is sourced from PubChem (CID 102483175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).