dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane

C23H40P2 — CID 155135812

IUPACdicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane
SMILESC[C@@H](P)[C@@H]1CC2=C(CCCC2)[C@@H]1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H40P2/c1-17(24)22-16-18-10-8-9-15-21(18)23(22)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h17,19-20,22-23H,2-16,24H2,1H3/t17-,22+,23+/m1/s1
InChIKeyDGVYTYNTTDCHTC-VSDWSMLSSA-N
MW378.52 g/mol
LogP7.66
Rot. Bonds4

About dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane

dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane (PubChem CID 155135812) has the molecular formula C23H40P2 and a molecular weight of 378.52 g/mol. Its IUPAC name is dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane
PubChem CID155135812
Molecular FormulaC23H40P2
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Namedicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane
SMILESC[C@@H](P)[C@@H]1CC2=C(CCCC2)[C@@H]1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H40P2/c1-17(24)22-16-18-10-8-9-15-21(18)23(22)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h17,19-20,22-23H,2-16,24H2,1H3/t17-,22+,23+/m1/s1
InChIKeyDGVYTYNTTDCHTC-VSDWSMLSSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane (CID 155135812) is dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane is C[C@@H](P)[C@@H]1CC2=C(CCCC2)[C@@H]1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane?
The InChIKey is DGVYTYNTTDCHTC-VSDWSMLSSA-N. The full InChI is InChI=1S/C23H40P2/c1-17(24)22-16-18-10-8-9-15-21(18)23(22)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h17,19-20,22-23H,2-16,24H2,1H3/t17-,22+,23+/m1/s1.
What are the key properties of dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane?
dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane has a molecular weight of 378.52 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1R,2S)-2-[(1R)-1-phosphanylethyl]-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]phosphane is sourced from PubChem (CID 155135812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).