(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane

C20H37PS — CID 70467825

IUPAC(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
SMILESCCCCCCCC(P=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37PS/c1-2-3-4-5-12-17-20(21-22,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h18-19H,2-17H2,1H3
InChIKeyKJCKVMXCJQTFII-UHFFFAOYSA-N
MW340.56 g/mol
LogP7.65
Rot. Bonds9

About (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane

(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane (PubChem CID 70467825) has the molecular formula C20H37PS and a molecular weight of 340.56 g/mol. Its IUPAC name is (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane.

Molecular Properties

Compound Name(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
PubChem CID70467825
Molecular FormulaC20H37PS
Molecular Weight340.56 g/mol
Exact Mass340.24
IUPAC Name(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
SMILESCCCCCCCC(P=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37PS/c1-2-3-4-5-12-17-20(21-22,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h18-19H,2-17H2,1H3
InChIKeyKJCKVMXCJQTFII-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
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2-[1-cyclopentyl-1-[1-cyclopentyl-1-(oxiran-2-yl)nonoxy]nonyl]oxirane
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[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
tetradecylcyclododecane
CID 169026037
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CID 169026040
docosylcyclohexane
CID 521991
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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane?
The IUPAC name of (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane (CID 70467825) is (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane.
What is the SMILES notation for (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane?
The canonical SMILES for (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane is CCCCCCCC(P=S)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane?
The InChIKey is KJCKVMXCJQTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37PS/c1-2-3-4-5-12-17-20(21-22,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h18-19H,2-17H2,1H3.
What are the key properties of (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane?
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane has a molecular weight of 340.56 g/mol, XLogP of 7.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane is sourced from PubChem (CID 70467825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).