[(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane

C30H52P2 — CID 100999535

About [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane

[(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane (PubChem CID 100999535) has the molecular formula C30H52P2 and a molecular weight of 474.69 g/mol. Its IUPAC name is [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane.

Molecular Properties

• Compound Name: [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane
• PubChem CID: 100999535
• Molecular Formula: C30H52P2
• Molecular Weight: 474.69 g/mol
• Exact Mass: 474.35
• IUPAC Name: [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane
• SMILES: CC(C)CP(CC(C)C)[C@@H](C)C1=C(C2=C([C@H](C)P(CC(C)C)CC(C)C)C=CC2)CC=C1
• InChI: InChI=1S/C30H52P2/c1-21(2)17-31(18-22(3)4)25(9)27-13-11-15-29(27)30-16-12-14-28(30)26(10)32(19-23(5)6)20-24(7)8/h11-14,21-26H,15-20H2,1-10H3/t25-,26-/m0/s1
• InChIKey: SKZDEZRLEXGYTA-UIOOFZCWSA-N
• XLogP: 9.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.69
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane?

The IUPAC name of [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane (CID 100999535) is [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane.

What is the SMILES notation for [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane?

The canonical SMILES for [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane is CC(C)CP(CC(C)C)[C@@H](C)C1=C(C2=C([C@H](C)P(CC(C)C)CC(C)C)C=CC2)CC=C1.

What is the InChIKey of [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane?

The InChIKey is SKZDEZRLEXGYTA-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H52P2/c1-21(2)17-31(18-22(3)4)25(9)27-13-11-15-29(27)30-16-12-14-28(30)26(10)32(19-23(5)6)20-24(7)8/h11-14,21-26H,15-20H2,1-10H3/t25-,26-/m0/s1.

What are the key properties of [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane?

[(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane has a molecular weight of 474.69 g/mol, XLogP of 9.86, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[2-[2-[(1S)-1-[bis(2-methylpropyl)phosphanyl]ethyl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-yl]ethyl]-bis(2-methylpropyl)phosphane is sourced from PubChem (CID 100999535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).