2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene

C13H21O3PS — CID 44556733

IUPAC2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene
SMILESC=C(CP(=O)(OC(C)C)OC(C)C)c1cccs1
InChIInChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)9-12(5)13-7-6-8-18-13/h6-8,10-11H,5,9H2,1-4H3
InChIKeyNGJDNUOCYVOGDZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.80
Rot. Bonds7

About 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene

2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene (PubChem CID 44556733) has the molecular formula C13H21O3PS and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene
PubChem CID44556733
Molecular FormulaC13H21O3PS
Molecular Weight288.35 g/mol
Exact Mass288.09
IUPAC Name2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene
SMILESC=C(CP(=O)(OC(C)C)OC(C)C)c1cccs1
InChIInChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)9-12(5)13-7-6-8-18-13/h6-8,10-11H,5,9H2,1-4H3
InChIKeyNGJDNUOCYVOGDZ-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
CID 21329773
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
CID 118474921
(3S)-3-di(propan-2-yloxy)phosphoryl-3-thiophen-2-ylpropanal
CID 23659888
1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
CID 11368975
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
ethyl (2R)-2-(hydroxysulfanylamino)-4-thiophen-2-ylpent-4-enoate
CID 143200361
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290

Frequently Asked Questions

What is the IUPAC name of 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene?
The IUPAC name of 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene (CID 44556733) is 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene.
What is the SMILES notation for 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene?
The canonical SMILES for 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene is C=C(CP(=O)(OC(C)C)OC(C)C)c1cccs1.
What is the InChIKey of 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene?
The InChIKey is NGJDNUOCYVOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)9-12(5)13-7-6-8-18-13/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene?
2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene has a molecular weight of 288.35 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene is sourced from PubChem (CID 44556733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).