CID 14027194

C12H16 — CID 14027194

IUPAC—
SMILESC1=CC2C(CC1)C1(CC1)C21CC1
InChIInChI=1S/C12H16/c1-2-4-10-9(3-1)11(5-6-11)12(10)7-8-12/h1,3,9-10H,2,4-8H2
InChIKeyQJVAGUPJTFVMEB-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.14
Rot. Bonds

About CID 14027194

CID 14027194 (PubChem CID 14027194) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol.

Molecular Properties

Compound NameCID 14027194
PubChem CID14027194
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name—
SMILESC1=CC2C(CC1)C1(CC1)C21CC1
InChIInChI=1S/C12H16/c1-2-4-10-9(3-1)11(5-6-11)12(10)7-8-12/h1,3,9-10H,2,4-8H2
InChIKeyQJVAGUPJTFVMEB-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.14
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 14027194?
The IUPAC name of CID 14027194 (CID 14027194) is not available.
What is the SMILES notation for CID 14027194?
The canonical SMILES for CID 14027194 is C1=CC2C(CC1)C1(CC1)C21CC1.
What is the InChIKey of CID 14027194?
The InChIKey is QJVAGUPJTFVMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-10-9(3-1)11(5-6-11)12(10)7-8-12/h1,3,9-10H,2,4-8H2.
What are the key properties of CID 14027194?
CID 14027194 has a molecular weight of 160.26 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14027194 is sourced from PubChem (CID 14027194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).