CID 12603487

C6H11 — CID 12603487

IUPAC—
SMILESC=CC[C](C)C
InChIInChI=1S/C6H11/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
InChIKeyLANFMNFQTUQWEF-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.18
Rot. Bonds2

About CID 12603487

CID 12603487 (PubChem CID 12603487) has the molecular formula C6H11 and a molecular weight of 83.15 g/mol.

Molecular Properties

Compound NameCID 12603487
PubChem CID12603487
Molecular FormulaC6H11
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Name—
SMILESC=CC[C](C)C
InChIInChI=1S/C6H11/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
InChIKeyLANFMNFQTUQWEF-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.18
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 12603487?
The IUPAC name of CID 12603487 (CID 12603487) is not available.
What is the SMILES notation for CID 12603487?
The canonical SMILES for CID 12603487 is C=CC[C](C)C.
What is the InChIKey of CID 12603487?
The InChIKey is LANFMNFQTUQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-4-5-6(2)3/h4H,1,5H2,2-3H3.
What are the key properties of CID 12603487?
CID 12603487 has a molecular weight of 83.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12603487 is sourced from PubChem (CID 12603487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).