heptanoic acid;λ2-stannane

C7H16O2Sn — CID 173301030

IUPACheptanoic acid;λ2-stannane
SMILESCCCCCCC(=O)O.[SnH2]
InChIInChI=1S/C7H14O2.Sn.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;
InChIKeyLMTFDSFPSYBICN-UHFFFAOYSA-N
MW250.91 g/mol
LogP1.13
Rot. Bonds5

About heptanoic acid;λ2-stannane

heptanoic acid;λ2-stannane (PubChem CID 173301030) has the molecular formula C7H16O2Sn and a molecular weight of 250.91 g/mol. Its IUPAC name is heptanoic acid;λ2-stannane.

Molecular Properties

Compound Nameheptanoic acid;λ2-stannane
PubChem CID173301030
Molecular FormulaC7H16O2Sn
Molecular Weight250.91 g/mol
Exact Mass252.02
IUPAC Nameheptanoic acid;λ2-stannane
SMILESCCCCCCC(=O)O.[SnH2]
InChIInChI=1S/C7H14O2.Sn.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;
InChIKeyLMTFDSFPSYBICN-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.91
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;λ2-stannane
CID 173014096
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of heptanoic acid;λ2-stannane?
The IUPAC name of heptanoic acid;λ2-stannane (CID 173301030) is heptanoic acid;λ2-stannane.
What is the SMILES notation for heptanoic acid;λ2-stannane?
The canonical SMILES for heptanoic acid;λ2-stannane is CCCCCCC(=O)O.[SnH2].
What is the InChIKey of heptanoic acid;λ2-stannane?
The InChIKey is LMTFDSFPSYBICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.Sn.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;.
What are the key properties of heptanoic acid;λ2-stannane?
heptanoic acid;λ2-stannane has a molecular weight of 250.91 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptanoic acid;λ2-stannane is sourced from PubChem (CID 173301030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).