ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane

C20H42P2 — CID 58273126

IUPACditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1P(C)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42P2/c1-15(2)17-12-11-16(3)13-18(17)21(10)14-22(19(4,5)6)20(7,8)9/h15-18H,11-14H2,1-10H3/t16-,17+,18-,21?/m1/s1
InChIKeyPKEIIPMGRLUNFV-JAQBAERBSA-N
MW344.50 g/mol
LogP7.60
Rot. Bonds4

About ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane

ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane (PubChem CID 58273126) has the molecular formula C20H42P2 and a molecular weight of 344.50 g/mol. Its IUPAC name is ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane
PubChem CID58273126
Molecular FormulaC20H42P2
Molecular Weight344.50 g/mol
Exact Mass344.28
IUPAC Nameditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1P(C)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42P2/c1-15(2)17-12-11-16(3)13-18(17)21(10)14-22(19(4,5)6)20(7,8)9/h15-18H,11-14H2,1-10H3/t16-,17+,18-,21?/m1/s1
InChIKeyPKEIIPMGRLUNFV-JAQBAERBSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane (CID 58273126) is ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1P(C)CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane?
The InChIKey is PKEIIPMGRLUNFV-JAQBAERBSA-N. The full InChI is InChI=1S/C20H42P2/c1-15(2)17-12-11-16(3)13-18(17)21(10)14-22(19(4,5)6)20(7,8)9/h15-18H,11-14H2,1-10H3/t16-,17+,18-,21?/m1/s1.
What are the key properties of ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane?
ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane has a molecular weight of 344.50 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanyl]methyl]phosphane is sourced from PubChem (CID 58273126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).