dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane

C17H32P2 — CID 58698014

IUPACdicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane
SMILESC[P@@]1CCC[C@@H]1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32P2/c1-18-14-8-13-17(18)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h15-17H,2-14H2,1H3/t17-,18-/m0/s1
InChIKeyPBWULSHYJSHABP-ROUUACIJSA-N
MW298.39 g/mol
LogP6.37
Rot. Bonds3

About dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane

dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane (PubChem CID 58698014) has the molecular formula C17H32P2 and a molecular weight of 298.39 g/mol. Its IUPAC name is dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane
PubChem CID58698014
Molecular FormulaC17H32P2
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Namedicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane
SMILESC[P@@]1CCC[C@@H]1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32P2/c1-18-14-8-13-17(18)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h15-17H,2-14H2,1H3/t17-,18-/m0/s1
InChIKeyPBWULSHYJSHABP-ROUUACIJSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
CID 11297590
CID 11297590
silane;tricyclohexylphosphane
CID 158384701
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558
[(2S)-1-methylphospholan-2-yl]-diphenylphosphane
CID 91165507
palladium;tricyclopentylphosphane
CID 87488912
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
2-methylbut-2-ene;tricyclohexylphosphane
CID 174792774

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane (CID 58698014) is dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane is C[P@@]1CCC[C@@H]1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane?
The InChIKey is PBWULSHYJSHABP-ROUUACIJSA-N. The full InChI is InChI=1S/C17H32P2/c1-18-14-8-13-17(18)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h15-17H,2-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane?
dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane has a molecular weight of 298.39 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1S,2S)-1-methylphospholan-2-yl]phosphane is sourced from PubChem (CID 58698014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).