CID 162424412

C12H17 — CID 162424412

IUPAC—
SMILES[CH2]Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H17/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,1,5H2,2-4H3
InChIKeyKIZMMYOLRAGEQL-UHFFFAOYSA-N
MW161.27 g/mol
LogP3.36
Rot. Bonds1

About CID 162424412

CID 162424412 (PubChem CID 162424412) has the molecular formula C12H17 and a molecular weight of 161.27 g/mol.

Molecular Properties

Compound NameCID 162424412
PubChem CID162424412
Molecular FormulaC12H17
Molecular Weight161.27 g/mol
Exact Mass161.13
IUPAC Name—
SMILES[CH2]Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H17/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,1,5H2,2-4H3
InChIKeyKIZMMYOLRAGEQL-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(4-tert-butylphenyl)propane-2,2-diol
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1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
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1-(4-tert-butylphenyl)-N-iodomethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 162424412?
The IUPAC name of CID 162424412 (CID 162424412) is not available.
What is the SMILES notation for CID 162424412?
The canonical SMILES for CID 162424412 is [CH2]Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of CID 162424412?
The InChIKey is KIZMMYOLRAGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,1,5H2,2-4H3.
What are the key properties of CID 162424412?
CID 162424412 has a molecular weight of 161.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162424412 is sourced from PubChem (CID 162424412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).