CID 143707961

C9H9 — CID 143707961

IUPAC—
SMILESCC12C=C=C=C[C]1CC2
InChIInChI=1S/C9H9/c1-9-6-3-2-4-8(9)5-7-9/h4,6H,5,7H2,1H3
InChIKeyBPBRKPAKIMQUNV-UHFFFAOYSA-N
MW117.17 g/mol
LogP2.24
Rot. Bonds

About CID 143707961

CID 143707961 (PubChem CID 143707961) has the molecular formula C9H9 and a molecular weight of 117.17 g/mol.

Molecular Properties

Compound NameCID 143707961
PubChem CID143707961
Molecular FormulaC9H9
Molecular Weight117.17 g/mol
Exact Mass117.07
IUPAC Name—
SMILESCC12C=C=C=C[C]1CC2
InChIInChI=1S/C9H9/c1-9-6-3-2-4-8(9)5-7-9/h4,6H,5,7H2,1H3
InChIKeyBPBRKPAKIMQUNV-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 143707961?
The IUPAC name of CID 143707961 (CID 143707961) is not available.
What is the SMILES notation for CID 143707961?
The canonical SMILES for CID 143707961 is CC12C=C=C=C[C]1CC2.
What is the InChIKey of CID 143707961?
The InChIKey is BPBRKPAKIMQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9/c1-9-6-3-2-4-8(9)5-7-9/h4,6H,5,7H2,1H3.
What are the key properties of CID 143707961?
CID 143707961 has a molecular weight of 117.17 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143707961 is sourced from PubChem (CID 143707961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).