CID 171375076

C10H18Cl3OSn-3 — CID 171375076

IUPAC—
SMILESCC(C)(C)C1CC=C(O)CC1.[Cl-].[Cl-].[Cl-].[Sn]
InChIInChI=1S/C10H18O.3ClH.Sn/c1-10(2,3)8-4-6-9(11)7-5-8;;;;/h6,8,11H,4-5,7H2,1-3H3;3*1H;/p-3
InChIKeyOAEPLWGJLUSPNR-UHFFFAOYSA-K
MW379.32 g/mol
LogP-6.09
Rot. Bonds

About CID 171375076

CID 171375076 (PubChem CID 171375076) has the molecular formula C10H18Cl3OSn-3 and a molecular weight of 379.32 g/mol.

Molecular Properties

Compound NameCID 171375076
PubChem CID171375076
Molecular FormulaC10H18Cl3OSn-3
Molecular Weight379.32 g/mol
Exact Mass378.95
IUPAC Name—
SMILESCC(C)(C)C1CC=C(O)CC1.[Cl-].[Cl-].[Cl-].[Sn]
InChIInChI=1S/C10H18O.3ClH.Sn/c1-10(2,3)8-4-6-9(11)7-5-8;;;;/h6,8,11H,4-5,7H2,1-3H3;3*1H;/p-3
InChIKeyOAEPLWGJLUSPNR-UHFFFAOYSA-K
XLogP-6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 5-6.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 171375076?
The IUPAC name of CID 171375076 (CID 171375076) is not available.
What is the SMILES notation for CID 171375076?
The canonical SMILES for CID 171375076 is CC(C)(C)C1CC=C(O)CC1.[Cl-].[Cl-].[Cl-].[Sn].
What is the InChIKey of CID 171375076?
The InChIKey is OAEPLWGJLUSPNR-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H18O.3ClH.Sn/c1-10(2,3)8-4-6-9(11)7-5-8;;;;/h6,8,11H,4-5,7H2,1-3H3;3*1H;/p-3.
What are the key properties of CID 171375076?
CID 171375076 has a molecular weight of 379.32 g/mol, XLogP of -6.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375076 is sourced from PubChem (CID 171375076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).