CID 12696721

C5H9 — CID 12696721

IUPAC—
SMILESC[C]=C(C)C
InChIInChI=1S/C5H9/c1-4-5(2)3/h1-3H3
InChIKeyQEDJNWQOUQRANM-UHFFFAOYSA-N
MW69.13 g/mol
LogP1.78
Rot. Bonds

About CID 12696721

CID 12696721 (PubChem CID 12696721) has the molecular formula C5H9 and a molecular weight of 69.13 g/mol.

Molecular Properties

Compound NameCID 12696721
PubChem CID12696721
Molecular FormulaC5H9
Molecular Weight69.13 g/mol
Exact Mass69.07
IUPAC Name—
SMILESC[C]=C(C)C
InChIInChI=1S/C5H9/c1-4-5(2)3/h1-3H3
InChIKeyQEDJNWQOUQRANM-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.13
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 12696721?
The IUPAC name of CID 12696721 (CID 12696721) is not available.
What is the SMILES notation for CID 12696721?
The canonical SMILES for CID 12696721 is C[C]=C(C)C.
What is the InChIKey of CID 12696721?
The InChIKey is QEDJNWQOUQRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9/c1-4-5(2)3/h1-3H3.
What are the key properties of CID 12696721?
CID 12696721 has a molecular weight of 69.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12696721 is sourced from PubChem (CID 12696721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).