2-(4-phosphorosooxynonan-4-yl)thiophene

C13H21O2PS — CID 145398956

IUPAC2-(4-phosphorosooxynonan-4-yl)thiophene
SMILESCCCCCC(CCC)(OP=O)c1cccs1
InChIInChI=1S/C13H21O2PS/c1-3-5-6-10-13(9-4-2,15-16-14)12-8-7-11-17-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWIIFPXRREAMDNS-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.55
Rot. Bonds9

About 2-(4-phosphorosooxynonan-4-yl)thiophene

2-(4-phosphorosooxynonan-4-yl)thiophene (PubChem CID 145398956) has the molecular formula C13H21O2PS and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-phosphorosooxynonan-4-yl)thiophene.

Molecular Properties

Compound Name2-(4-phosphorosooxynonan-4-yl)thiophene
PubChem CID145398956
Molecular FormulaC13H21O2PS
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name2-(4-phosphorosooxynonan-4-yl)thiophene
SMILESCCCCCC(CCC)(OP=O)c1cccs1
InChIInChI=1S/C13H21O2PS/c1-3-5-6-10-13(9-4-2,15-16-14)12-8-7-11-17-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWIIFPXRREAMDNS-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 139342178
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
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4-(4-phenylpentadecan-4-yloxy)pentadecan-4-ylbenzene
CID 175374768
N-(1-aminohexan-2-yl)-2-methyl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119667782
(2R)-2-amino-3-butoxy-3-oxo-2-thiophen-2-ylpropanoic acid
CID 69325181
1-(4-butylphenyl)-1-thiophen-2-ylethanol
CID 58735357
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
2-(1,1-dichloroethyl)thiophene
CID 12555703
1-thiophen-2-ylpropane-1,1-dithiol
CID 154261412
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2-octoxythiophene
CID 66725658

Frequently Asked Questions

What is the IUPAC name of 2-(4-phosphorosooxynonan-4-yl)thiophene?
The IUPAC name of 2-(4-phosphorosooxynonan-4-yl)thiophene (CID 145398956) is 2-(4-phosphorosooxynonan-4-yl)thiophene.
What is the SMILES notation for 2-(4-phosphorosooxynonan-4-yl)thiophene?
The canonical SMILES for 2-(4-phosphorosooxynonan-4-yl)thiophene is CCCCCC(CCC)(OP=O)c1cccs1.
What is the InChIKey of 2-(4-phosphorosooxynonan-4-yl)thiophene?
The InChIKey is WIIFPXRREAMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2PS/c1-3-5-6-10-13(9-4-2,15-16-14)12-8-7-11-17-12/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(4-phosphorosooxynonan-4-yl)thiophene?
2-(4-phosphorosooxynonan-4-yl)thiophene has a molecular weight of 272.35 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phosphorosooxynonan-4-yl)thiophene is sourced from PubChem (CID 145398956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).