CID 11187905

C8H9 — CID 11187905

IUPAC—
SMILESC=CC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H9/c1-2-5-8-6-3-4-7-8/h2-4,6-7H,1,5H2
InChIKeyRXCRPLZHVABRLY-UHFFFAOYSA-N
MW105.16 g/mol
LogP1.97
Rot. Bonds2

About CID 11187905

CID 11187905 (PubChem CID 11187905) has the molecular formula C8H9 and a molecular weight of 105.16 g/mol.

Molecular Properties

Compound NameCID 11187905
PubChem CID11187905
Molecular FormulaC8H9
Molecular Weight105.16 g/mol
Exact Mass105.07
IUPAC Name—
SMILESC=CC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H9/c1-2-5-8-6-3-4-7-8/h2-4,6-7H,1,5H2
InChIKeyRXCRPLZHVABRLY-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11187905?
The IUPAC name of CID 11187905 (CID 11187905) is not available.
What is the SMILES notation for CID 11187905?
The canonical SMILES for CID 11187905 is C=CC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11187905?
The InChIKey is RXCRPLZHVABRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9/c1-2-5-8-6-3-4-7-8/h2-4,6-7H,1,5H2.
What are the key properties of CID 11187905?
CID 11187905 has a molecular weight of 105.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11187905 is sourced from PubChem (CID 11187905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).