hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium

C16H32O2P+ — CID 6398480

IUPAChexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
SMILESCCCCCC[P+](=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H32O2P/c1-5-6-7-8-11-19(17)18-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16-/m1/s1
InChIKeyHGWYVWMOQKXKFR-OWCLPIDISA-N
MW287.40 g/mol
LogP5.79
Rot. Bonds8

About hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium

hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium (PubChem CID 6398480) has the molecular formula C16H32O2P+ and a molecular weight of 287.40 g/mol. Its IUPAC name is hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium.

Molecular Properties

Compound Namehexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
PubChem CID6398480
Molecular FormulaC16H32O2P+
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namehexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
SMILESCCCCCC[P+](=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H32O2P/c1-5-6-7-8-11-19(17)18-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16-/m1/s1
InChIKeyHGWYVWMOQKXKFR-OWCLPIDISA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 55.79
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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Frequently Asked Questions

What is the IUPAC name of hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The IUPAC name of hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium (CID 6398480) is hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium.
What is the SMILES notation for hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The canonical SMILES for hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium is CCCCCC[P+](=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The InChIKey is HGWYVWMOQKXKFR-OWCLPIDISA-N. The full InChI is InChI=1S/C16H32O2P/c1-5-6-7-8-11-19(17)18-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16-/m1/s1.
What are the key properties of hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium has a molecular weight of 287.40 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium is sourced from PubChem (CID 6398480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).