[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane

C13H23O3P — CID 10611218

IUPAC[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane
SMILESCCOP(=O)(OCC)/C(C=C(C)C)=C\C1CC1
InChIInChI=1S/C13H23O3P/c1-5-15-17(14,16-6-2)13(9-11(3)4)10-12-7-8-12/h9-10,12H,5-8H2,1-4H3/b13-10-
InChIKeyVSDIIUOQZQOYHA-RAXLEYEMSA-N
MW258.30 g/mol
LogP4.51
Rot. Bonds7

About [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane

[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane (PubChem CID 10611218) has the molecular formula C13H23O3P and a molecular weight of 258.30 g/mol. Its IUPAC name is [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane.

Molecular Properties

Compound Name[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane
PubChem CID10611218
Molecular FormulaC13H23O3P
Molecular Weight258.30 g/mol
Exact Mass258.14
IUPAC Name[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane
SMILESCCOP(=O)(OCC)/C(C=C(C)C)=C\C1CC1
InChIInChI=1S/C13H23O3P/c1-5-15-17(14,16-6-2)13(9-11(3)4)10-12-7-8-12/h9-10,12H,5-8H2,1-4H3/b13-10-
InChIKeyVSDIIUOQZQOYHA-RAXLEYEMSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
(E)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613004
(Z)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613005
(E)-2-diethoxyphosphoryl-5-methylhex-2-ene
CID 13613006
(E)-3-diethoxyphosphoryl-6-methylhept-3-ene
CID 13613018
(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene
CID 101401802
(3E)-3-diethoxyphosphoryl-4,5-dimethylhexa-1,3-diene
CID 134917811
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
[(1E,3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-dienyl]cyclopropane
CID 10828883
Diethyl (4,8-dimethylnona-1,3,7-trien-1-yl)phosphonate
CID 71350134

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane?
The IUPAC name of [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane (CID 10611218) is [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane.
What is the SMILES notation for [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane?
The canonical SMILES for [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane is CCOP(=O)(OCC)/C(C=C(C)C)=C\C1CC1.
What is the InChIKey of [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane?
The InChIKey is VSDIIUOQZQOYHA-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H23O3P/c1-5-15-17(14,16-6-2)13(9-11(3)4)10-12-7-8-12/h9-10,12H,5-8H2,1-4H3/b13-10-.
What are the key properties of [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane?
[(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane has a molecular weight of 258.30 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl]cyclopropane is sourced from PubChem (CID 10611218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).