CID 57470906

C12H17 — CID 57470906

IUPAC—
SMILES[CH2]c1ccc(CCCCC)cc1
InChIInChI=1S/C12H17/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,2-6H2,1H3
InChIKeyYYGYQYYNZSHKTB-UHFFFAOYSA-N
MW161.27 g/mol
LogP3.60
Rot. Bonds4

About CID 57470906

CID 57470906 (PubChem CID 57470906) has the molecular formula C12H17 and a molecular weight of 161.27 g/mol.

Molecular Properties

Compound NameCID 57470906
PubChem CID57470906
Molecular FormulaC12H17
Molecular Weight161.27 g/mol
Exact Mass161.13
IUPAC Name—
SMILES[CH2]c1ccc(CCCCC)cc1
InChIInChI=1S/C12H17/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,2-6H2,1H3
InChIKeyYYGYQYYNZSHKTB-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 11052746
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
(4-undecylphenyl)methanethiol
CID 152658546
CID 59957588
CID 59957588

Frequently Asked Questions

What is the IUPAC name of CID 57470906?
The IUPAC name of CID 57470906 (CID 57470906) is not available.
What is the SMILES notation for CID 57470906?
The canonical SMILES for CID 57470906 is [CH2]c1ccc(CCCCC)cc1.
What is the InChIKey of CID 57470906?
The InChIKey is YYGYQYYNZSHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,2-6H2,1H3.
What are the key properties of CID 57470906?
CID 57470906 has a molecular weight of 161.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57470906 is sourced from PubChem (CID 57470906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).