heptoxy(oxo)stannane

C7H16O2Sn — CID 173066541

IUPACheptoxy(oxo)stannane
SMILESCCCCCCCO[SnH]=O
InChIInChI=1S/C7H15O.O.Sn.H/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;;;/q-1;;+1;
InChIKeyKZHAREKTJTXDLQ-UHFFFAOYSA-N
MW250.91 g/mol
LogP1.67
Rot. Bonds7

About heptoxy(oxo)stannane

heptoxy(oxo)stannane (PubChem CID 173066541) has the molecular formula C7H16O2Sn and a molecular weight of 250.91 g/mol. Its IUPAC name is heptoxy(oxo)stannane.

Molecular Properties

Compound Nameheptoxy(oxo)stannane
PubChem CID173066541
Molecular FormulaC7H16O2Sn
Molecular Weight250.91 g/mol
Exact Mass252.02
IUPAC Nameheptoxy(oxo)stannane
SMILESCCCCCCCO[SnH]=O
InChIInChI=1S/C7H15O.O.Sn.H/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;;;/q-1;;+1;
InChIKeyKZHAREKTJTXDLQ-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.91
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze heptoxy(oxo)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-decoxydecane;hydrochloride
CID 172747457
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
decane;ruthenium
CID 160818595
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of heptoxy(oxo)stannane?
The IUPAC name of heptoxy(oxo)stannane (CID 173066541) is heptoxy(oxo)stannane.
What is the SMILES notation for heptoxy(oxo)stannane?
The canonical SMILES for heptoxy(oxo)stannane is CCCCCCCO[SnH]=O.
What is the InChIKey of heptoxy(oxo)stannane?
The InChIKey is KZHAREKTJTXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.O.Sn.H/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;;;/q-1;;+1;.
What are the key properties of heptoxy(oxo)stannane?
heptoxy(oxo)stannane has a molecular weight of 250.91 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy(oxo)stannane is sourced from PubChem (CID 173066541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).