CID 89367682

C7H15OPS — CID 89367682

IUPAC—
SMILESCC(C)CCCCP(=O)=S
InChIInChI=1S/C7H15OPS/c1-7(2)5-3-4-6-9(8)10/h7H,3-6H2,1-2H3
InChIKeyVBQLYYXJKSLOPL-UHFFFAOYSA-N
MW178.24 g/mol
LogP3.10
Rot. Bonds5

About CID 89367682

CID 89367682 (PubChem CID 89367682) has the molecular formula C7H15OPS and a molecular weight of 178.24 g/mol.

Molecular Properties

Compound NameCID 89367682
PubChem CID89367682
Molecular FormulaC7H15OPS
Molecular Weight178.24 g/mol
Exact Mass178.06
IUPAC Name—
SMILESCC(C)CCCCP(=O)=S
InChIInChI=1S/C7H15OPS/c1-7(2)5-3-4-6-9(8)10/h7H,3-6H2,1-2H3
InChIKeyVBQLYYXJKSLOPL-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tris(7-methyloctyl)phosphane
CID 141083422
tris(6-methylheptyl)phosphane
CID 14029657
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
methyl-tris(8-methylnonyl)azanium
CID 19958085
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
17-methyloctadecane-1,1-diamine
CID 154316058
N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
ethyl-tris(6-methylheptyl)azanium
CID 19849312

Frequently Asked Questions

What is the IUPAC name of CID 89367682?
The IUPAC name of CID 89367682 (CID 89367682) is not available.
What is the SMILES notation for CID 89367682?
The canonical SMILES for CID 89367682 is CC(C)CCCCP(=O)=S.
What is the InChIKey of CID 89367682?
The InChIKey is VBQLYYXJKSLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OPS/c1-7(2)5-3-4-6-9(8)10/h7H,3-6H2,1-2H3.
What are the key properties of CID 89367682?
CID 89367682 has a molecular weight of 178.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89367682 is sourced from PubChem (CID 89367682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).