CID 11461408

C9H14O3P — CID 11461408

IUPAC—
SMILESCCOP(=O)(OCC)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H14O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyHISOHOLJRHURIG-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.62
Rot. Bonds5

About CID 11461408

CID 11461408 (PubChem CID 11461408) has the molecular formula C9H14O3P and a molecular weight of 201.18 g/mol.

Molecular Properties

Compound NameCID 11461408
PubChem CID11461408
Molecular FormulaC9H14O3P
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name—
SMILESCCOP(=O)(OCC)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H14O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyHISOHOLJRHURIG-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,4-bis(diethoxyphosphoryl)thiophen-2-yl]-3,4-bis(diethoxyphosphoryl)thiophene
CID 86638409
2-diethoxyphosphoryl-3-methylthiophene
CID 53363894
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
4-diethoxyphosphoryl-1,3-thiazol-2-amine
CID 13301434
5,11,17,23,29-pentakis(diethoxyphosphoryl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 102025776
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
5-diethoxyphosphoryl-1,2,3-tripropoxybenzene
CID 100944077

Frequently Asked Questions

What is the IUPAC name of CID 11461408?
The IUPAC name of CID 11461408 (CID 11461408) is not available.
What is the SMILES notation for CID 11461408?
The canonical SMILES for CID 11461408 is CCOP(=O)(OCC)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11461408?
The InChIKey is HISOHOLJRHURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of CID 11461408?
CID 11461408 has a molecular weight of 201.18 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11461408 is sourced from PubChem (CID 11461408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).