CID 134890124

C6H6 — CID 134890124

IUPAC—
SMILES[C]=C=C=C(C)C
InChIInChI=1S/C6H6/c1-4-5-6(2)3/h2-3H3
InChIKeyPSRQDBMVLJWFFA-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.57
Rot. Bonds

About CID 134890124

CID 134890124 (PubChem CID 134890124) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol.

Molecular Properties

Compound NameCID 134890124
PubChem CID134890124
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name—
SMILES[C]=C=C=C(C)C
InChIInChI=1S/C6H6/c1-4-5-6(2)3/h2-3H3
InChIKeyPSRQDBMVLJWFFA-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134890124?
The IUPAC name of CID 134890124 (CID 134890124) is not available.
What is the SMILES notation for CID 134890124?
The canonical SMILES for CID 134890124 is [C]=C=C=C(C)C.
What is the InChIKey of CID 134890124?
The InChIKey is PSRQDBMVLJWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-4-5-6(2)3/h2-3H3.
What are the key properties of CID 134890124?
CID 134890124 has a molecular weight of 78.11 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134890124 is sourced from PubChem (CID 134890124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).