CID 143201604

C33H49O2 — CID 143201604

About CID 143201604

CID 143201604 (PubChem CID 143201604) has the molecular formula C33H49O2 and a molecular weight of 477.75 g/mol.

Molecular Properties

• Compound Name: CID 143201604
• PubChem CID: 143201604
• Molecular Formula: C33H49O2
• Molecular Weight: 477.75 g/mol
• Exact Mass: 477.37
• IUPAC Name: —
• SMILES: C=C(C)C1CCC2(C(=O)C3=C[CH]3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12.[H][H]
• InChI: InChI=1S/C33H47O2.H2/c1-20(2)22-12-17-33(28(35)21-8-9-21)19-18-31(6)23(27(22)33)10-11-25-30(5)15-14-26(34)29(3,4)24(30)13-16-32(25,31)7;/h8-9,22-25,27H,1,10-19H2,2-7H3;1H/t22?,23-,24+,25-,27?,30+,31-,32-,33?;/m1./s1
• InChIKey: LCRFLQHZGFULRM-TZAPKWSYSA-N
• XLogP: 8.17
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.75
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 143201604?

The IUPAC name of CID 143201604 (CID 143201604) is not available.

What is the SMILES notation for CID 143201604?

The canonical SMILES for CID 143201604 is C=C(C)C1CCC2(C(=O)C3=C[CH]3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C12.[H][H].

What is the InChIKey of CID 143201604?

The InChIKey is LCRFLQHZGFULRM-TZAPKWSYSA-N. The full InChI is InChI=1S/C33H47O2.H2/c1-20(2)22-12-17-33(28(35)21-8-9-21)19-18-31(6)23(27(22)33)10-11-25-30(5)15-14-26(34)29(3,4)24(30)13-16-32(25,31)7;/h8-9,22-25,27H,1,10-19H2,2-7H3;1H/t22?,23-,24+,25-,27?,30+,31-,32-,33?;/m1./s1.

What are the key properties of CID 143201604?

CID 143201604 has a molecular weight of 477.75 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 143201604 is sourced from PubChem (CID 143201604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).