CID 142234695

C12H15 — CID 142234695

IUPAC—
SMILESC#Cc1cccc(CC)c1.[CH2]C
InChIInChI=1S/C10H10.C2H5/c1-3-9-6-5-7-10(4-2)8-9;1-2/h1,5-8H,4H2,2H3;1H2,2H3
InChIKeyAALYHPZDYUICHK-UHFFFAOYSA-N
MW159.25 g/mol
LogP3.07
Rot. Bonds1

About CID 142234695

CID 142234695 (PubChem CID 142234695) has the molecular formula C12H15 and a molecular weight of 159.25 g/mol.

Molecular Properties

Compound NameCID 142234695
PubChem CID142234695
Molecular FormulaC12H15
Molecular Weight159.25 g/mol
Exact Mass159.12
IUPAC Name—
SMILESC#Cc1cccc(CC)c1.[CH2]C
InChIInChI=1S/C10H10.C2H5/c1-3-9-6-5-7-10(4-2)8-9;1-2/h1,5-8H,4H2,2H3;1H2,2H3
InChIKeyAALYHPZDYUICHK-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 142234695?
The IUPAC name of CID 142234695 (CID 142234695) is not available.
What is the SMILES notation for CID 142234695?
The canonical SMILES for CID 142234695 is C#Cc1cccc(CC)c1.[CH2]C.
What is the InChIKey of CID 142234695?
The InChIKey is AALYHPZDYUICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C2H5/c1-3-9-6-5-7-10(4-2)8-9;1-2/h1,5-8H,4H2,2H3;1H2,2H3.
What are the key properties of CID 142234695?
CID 142234695 has a molecular weight of 159.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142234695 is sourced from PubChem (CID 142234695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).