CID 173081095

C14H22ISn — CID 173081095

IUPAC—
SMILESCCCCc1cccc([Sn])c1CCCC.I
InChIInChI=1S/C14H21.HI.Sn/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h7-8,11H,3-6,9-10H2,1-2H3;1H;
InChIKeyGASTZWUZOJELAG-UHFFFAOYSA-N
MW435.95 g/mol
LogP3.78
Rot. Bonds6

About CID 173081095

CID 173081095 (PubChem CID 173081095) has the molecular formula C14H22ISn and a molecular weight of 435.95 g/mol.

Molecular Properties

Compound NameCID 173081095
PubChem CID173081095
Molecular FormulaC14H22ISn
Molecular Weight435.95 g/mol
Exact Mass436.98
IUPAC Name—
SMILESCCCCc1cccc([Sn])c1CCCC.I
InChIInChI=1S/C14H21.HI.Sn/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h7-8,11H,3-6,9-10H2,1-2H3;1H;
InChIKeyGASTZWUZOJELAG-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,2-dibutyl-3-dodecylbenzene
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CID 173400823
1,3-dibutyl-2-ethylbenzene
CID 22713046
(2,3-dibutylphenyl)phosphane
CID 19901991
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2-dihexyl-3-methylbenzene
CID 15920121
(2,3-dibutylphenyl)methylphosphane
CID 21314355

Frequently Asked Questions

What is the IUPAC name of CID 173081095?
The IUPAC name of CID 173081095 (CID 173081095) is not available.
What is the SMILES notation for CID 173081095?
The canonical SMILES for CID 173081095 is CCCCc1cccc([Sn])c1CCCC.I.
What is the InChIKey of CID 173081095?
The InChIKey is GASTZWUZOJELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21.HI.Sn/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h7-8,11H,3-6,9-10H2,1-2H3;1H;.
What are the key properties of CID 173081095?
CID 173081095 has a molecular weight of 435.95 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173081095 is sourced from PubChem (CID 173081095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).