dicyclohexyl-methyl-propan-2-yloxyphosphanium

C16H32OP+ — CID 134455233

IUPACdicyclohexyl-methyl-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32OP/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h14-16H,4-13H2,1-3H3/q+1
InChIKeyGILCKFQTXRKERY-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.64
Rot. Bonds4

About dicyclohexyl-methyl-propan-2-yloxyphosphanium

dicyclohexyl-methyl-propan-2-yloxyphosphanium (PubChem CID 134455233) has the molecular formula C16H32OP+ and a molecular weight of 271.40 g/mol. Its IUPAC name is dicyclohexyl-methyl-propan-2-yloxyphosphanium.

Molecular Properties

Compound Namedicyclohexyl-methyl-propan-2-yloxyphosphanium
PubChem CID134455233
Molecular FormulaC16H32OP+
Molecular Weight271.40 g/mol
Exact Mass271.22
IUPAC Namedicyclohexyl-methyl-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32OP/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h14-16H,4-13H2,1-3H3/q+1
InChIKeyGILCKFQTXRKERY-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricyclohexyl(methyl)phosphanium chloride
CID 19001088
benzene;propan-2-ylcyclohexane
CID 163364158
cyclohexane;2-propan-2-yloxypropane
CID 22558525
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
propan-2-yloxycycloundecane
CID 91254526
cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
CID 157358455
1-methoxyethylcyclooctane
CID 58445596
1-propan-2-yloxyethoxycycloundecane
CID 21496393
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
N-(1-propan-2-yloxyethyl)cyclohexanamine
CID 163678991

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-methyl-propan-2-yloxyphosphanium?
The IUPAC name of dicyclohexyl-methyl-propan-2-yloxyphosphanium (CID 134455233) is dicyclohexyl-methyl-propan-2-yloxyphosphanium.
What is the SMILES notation for dicyclohexyl-methyl-propan-2-yloxyphosphanium?
The canonical SMILES for dicyclohexyl-methyl-propan-2-yloxyphosphanium is CC(C)O[P+](C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-methyl-propan-2-yloxyphosphanium?
The InChIKey is GILCKFQTXRKERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OP/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h14-16H,4-13H2,1-3H3/q+1.
What are the key properties of dicyclohexyl-methyl-propan-2-yloxyphosphanium?
dicyclohexyl-methyl-propan-2-yloxyphosphanium has a molecular weight of 271.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-methyl-propan-2-yloxyphosphanium is sourced from PubChem (CID 134455233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).