CID 18669956

C30H51Cr — CID 18669956

IUPAC—
SMILESCC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.[Cr+3]
InChIInChI=1S/3C10H17.Cr/c3*1-6-4-9-5-10(6)8(3)7(9)2;/h3*6-9H,4-5H2,1-3H3;/q3*-1;+3
InChIKeyRECGRXMKHOJWSS-UHFFFAOYSA-N
MW463.73 g/mol
LogP8.68
Rot. Bonds

About CID 18669956

CID 18669956 (PubChem CID 18669956) has the molecular formula C30H51Cr and a molecular weight of 463.73 g/mol.

Molecular Properties

Compound NameCID 18669956
PubChem CID18669956
Molecular FormulaC30H51Cr
Molecular Weight463.73 g/mol
Exact Mass463.34
IUPAC Name—
SMILESCC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.[Cr+3]
InChIInChI=1S/3C10H17.Cr/c3*1-6-4-9-5-10(6)8(3)7(9)2;/h3*6-9H,4-5H2,1-3H3;/q3*-1;+3
InChIKeyRECGRXMKHOJWSS-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.73
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18669956?
The IUPAC name of CID 18669956 (CID 18669956) is not available.
What is the SMILES notation for CID 18669956?
The canonical SMILES for CID 18669956 is CC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.CC1CC2C[C-]1C(C)C2C.[Cr+3].
What is the InChIKey of CID 18669956?
The InChIKey is RECGRXMKHOJWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17.Cr/c3*1-6-4-9-5-10(6)8(3)7(9)2;/h3*6-9H,4-5H2,1-3H3;/q3*-1;+3.
What are the key properties of CID 18669956?
CID 18669956 has a molecular weight of 463.73 g/mol, XLogP of 8.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18669956 is sourced from PubChem (CID 18669956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).