hexanedioic acid;λ2-stannane;hydrochloride

C6H13ClO4Sn — CID 174930220

IUPAChexanedioic acid;λ2-stannane;hydrochloride
SMILESCl.O=C(O)CCCCC(=O)O.[SnH2]
InChIInChI=1S/C6H10O4.ClH.Sn.2H/c7-5(8)3-1-2-4-6(9)10;;;;/h1-4H2,(H,7,8)(H,9,10);1H;;;
InChIKeyZQQRWIDLDCACOE-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.22
Rot. Bonds5

About hexanedioic acid;λ2-stannane;hydrochloride

hexanedioic acid;λ2-stannane;hydrochloride (PubChem CID 174930220) has the molecular formula C6H13ClO4Sn and a molecular weight of 303.33 g/mol. Its IUPAC name is hexanedioic acid;λ2-stannane;hydrochloride.

Molecular Properties

Compound Namehexanedioic acid;λ2-stannane;hydrochloride
PubChem CID174930220
Molecular FormulaC6H13ClO4Sn
Molecular Weight303.33 g/mol
Exact Mass303.95
IUPAC Namehexanedioic acid;λ2-stannane;hydrochloride
SMILESCl.O=C(O)CCCCC(=O)O.[SnH2]
InChIInChI=1S/C6H10O4.ClH.Sn.2H/c7-5(8)3-1-2-4-6(9)10;;;;/h1-4H2,(H,7,8)(H,9,10);1H;;;
InChIKeyZQQRWIDLDCACOE-UHFFFAOYSA-N
XLogP0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptanedioic acid;dihydrochloride
CID 87431923
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;λ2-stannane;hydrochloride?
The IUPAC name of hexanedioic acid;λ2-stannane;hydrochloride (CID 174930220) is hexanedioic acid;λ2-stannane;hydrochloride.
What is the SMILES notation for hexanedioic acid;λ2-stannane;hydrochloride?
The canonical SMILES for hexanedioic acid;λ2-stannane;hydrochloride is Cl.O=C(O)CCCCC(=O)O.[SnH2].
What is the InChIKey of hexanedioic acid;λ2-stannane;hydrochloride?
The InChIKey is ZQQRWIDLDCACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.ClH.Sn.2H/c7-5(8)3-1-2-4-6(9)10;;;;/h1-4H2,(H,7,8)(H,9,10);1H;;;.
What are the key properties of hexanedioic acid;λ2-stannane;hydrochloride?
hexanedioic acid;λ2-stannane;hydrochloride has a molecular weight of 303.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;λ2-stannane;hydrochloride is sourced from PubChem (CID 174930220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).