CID 10458509

C30H47Y- — CID 10458509

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)C1CC=C(C)CC1.[Y]
InChIInChI=1S/C10H17.2C10H15.Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-6-7(2)9(4)10(5)8(6)3;/h4,8,10H,1,5-7H2,2-3H3;2*1-5H3;/q-1;;;
InChIKeyKBIGLMDSEZYSIS-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.14
Rot. Bonds1

About CID 10458509

CID 10458509 (PubChem CID 10458509) has the molecular formula C30H47Y- and a molecular weight of 496.61 g/mol.

Molecular Properties

Compound NameCID 10458509
PubChem CID10458509
Molecular FormulaC30H47Y-
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)C1CC=C(C)CC1.[Y]
InChIInChI=1S/C10H17.2C10H15.Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-6-7(2)9(4)10(5)8(6)3;/h4,8,10H,1,5-7H2,2-3H3;2*1-5H3;/q-1;;;
InChIKeyKBIGLMDSEZYSIS-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10458509?
The IUPAC name of CID 10458509 (CID 10458509) is not available.
What is the SMILES notation for CID 10458509?
The canonical SMILES for CID 10458509 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)C1CC=C(C)CC1.[Y].
What is the InChIKey of CID 10458509?
The InChIKey is KBIGLMDSEZYSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17.2C10H15.Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-6-7(2)9(4)10(5)8(6)3;/h4,8,10H,1,5-7H2,2-3H3;2*1-5H3;/q-1;;;.
What are the key properties of CID 10458509?
CID 10458509 has a molecular weight of 496.61 g/mol, XLogP of 9.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10458509 is sourced from PubChem (CID 10458509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).