CID 67365757

C27H58O3Sn2 — CID 67365757

IUPAC—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCC(C)C)OCC(C)C
InChIInChI=1S/C11H22O.2C4H9O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-4(2)3-5;2*1-3-4-2;;/h3-10H2,1-2H3;2*4H,3H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyPBCAWOMHZHWKBF-UHFFFAOYSA-N
MW668.18 g/mol
LogP8.94
Rot. Bonds23

About CID 67365757

CID 67365757 (PubChem CID 67365757) has the molecular formula C27H58O3Sn2 and a molecular weight of 668.18 g/mol.

Molecular Properties

Compound NameCID 67365757
PubChem CID67365757
Molecular FormulaC27H58O3Sn2
Molecular Weight668.18 g/mol
Exact Mass670.24
IUPAC Name—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCC(C)C)OCC(C)C
InChIInChI=1S/C11H22O.2C4H9O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-4(2)3-5;2*1-3-4-2;;/h3-10H2,1-2H3;2*4H,3H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyPBCAWOMHZHWKBF-UHFFFAOYSA-N
XLogP8.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.18
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106459603
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CID 150480915
4,4-bis(2-methylpropoxy)heptane
CID 89439666
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Frequently Asked Questions

What is the IUPAC name of CID 67365757?
The IUPAC name of CID 67365757 (CID 67365757) is not available.
What is the SMILES notation for CID 67365757?
The canonical SMILES for CID 67365757 is CCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCC(C)C)OCC(C)C.
What is the InChIKey of CID 67365757?
The InChIKey is PBCAWOMHZHWKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.2C4H9O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-4(2)3-5;2*1-3-4-2;;/h3-10H2,1-2H3;2*4H,3H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2.
What are the key properties of CID 67365757?
CID 67365757 has a molecular weight of 668.18 g/mol, XLogP of 8.94, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67365757 is sourced from PubChem (CID 67365757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).