CID 134865948

C8H12 — CID 134865948

IUPAC—
SMILES[C]=C1C(C)(C)C1(C)C
InChIInChI=1S/C8H12/c1-6-7(2,3)8(6,4)5/h2-5H3
InChIKeyVXFKLUXABYJRBM-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.29
Rot. Bonds

About CID 134865948

CID 134865948 (PubChem CID 134865948) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol.

Molecular Properties

Compound NameCID 134865948
PubChem CID134865948
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name—
SMILES[C]=C1C(C)(C)C1(C)C
InChIInChI=1S/C8H12/c1-6-7(2,3)8(6,4)5/h2-5H3
InChIKeyVXFKLUXABYJRBM-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134865948?
The IUPAC name of CID 134865948 (CID 134865948) is not available.
What is the SMILES notation for CID 134865948?
The canonical SMILES for CID 134865948 is [C]=C1C(C)(C)C1(C)C.
What is the InChIKey of CID 134865948?
The InChIKey is VXFKLUXABYJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-7(2,3)8(6,4)5/h2-5H3.
What are the key properties of CID 134865948?
CID 134865948 has a molecular weight of 108.18 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134865948 is sourced from PubChem (CID 134865948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).