CID 173004407

C14H21OSn — CID 173004407

IUPAC—
SMILESCCCCc1cccc(O[Sn])c1CCCC
InChIInChI=1S/C14H22O.Sn/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;/h7,9,11,15H,3-6,8,10H2,1-2H3;/q;+1/p-1
InChIKeyWCTZKMYLNITXJS-UHFFFAOYSA-M
MW324.03 g/mol
LogP3.83
Rot. Bonds7

About CID 173004407

CID 173004407 (PubChem CID 173004407) has the molecular formula C14H21OSn and a molecular weight of 324.03 g/mol.

Molecular Properties

Compound NameCID 173004407
PubChem CID173004407
Molecular FormulaC14H21OSn
Molecular Weight324.03 g/mol
Exact Mass325.06
IUPAC Name—
SMILESCCCCc1cccc(O[Sn])c1CCCC
InChIInChI=1S/C14H22O.Sn/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;/h7,9,11,15H,3-6,8,10H2,1-2H3;/q;+1/p-1
InChIKeyWCTZKMYLNITXJS-UHFFFAOYSA-M
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.03
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
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1,2,3-tributylbenzene;hydrate
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(2,3-dioctadecylphenyl) formate
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CID 91602515
1,3-dibutyl-2-ethylbenzene
CID 22713046
CID 173081095
CID 173081095
(3-butyl-2-nonylphenyl) hydrogen carbonate
CID 67180940
(2-butyl-3-heptylphenyl) hydrogen carbonate
CID 67182591
(2,3-dibutylphenyl)phosphane
CID 19901991
1-dodecyl-2-octyl-3-tridecylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 173004407?
The IUPAC name of CID 173004407 (CID 173004407) is not available.
What is the SMILES notation for CID 173004407?
The canonical SMILES for CID 173004407 is CCCCc1cccc(O[Sn])c1CCCC.
What is the InChIKey of CID 173004407?
The InChIKey is WCTZKMYLNITXJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22O.Sn/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;/h7,9,11,15H,3-6,8,10H2,1-2H3;/q;+1/p-1.
What are the key properties of CID 173004407?
CID 173004407 has a molecular weight of 324.03 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173004407 is sourced from PubChem (CID 173004407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).