butyl hexanoate;λ2-stannane

C10H22O2Sn — CID 174326470

IUPACbutyl hexanoate;λ2-stannane
SMILESCCCCCC(=O)OCCCC.[SnH2]
InChIInChI=1S/C10H20O2.Sn.2H/c1-3-5-7-8-10(11)12-9-6-4-2;;;/h3-9H2,1-2H3;;;
InChIKeyFXIAYUMNEYKMHG-UHFFFAOYSA-N
MW292.99 g/mol
LogP1.99
Rot. Bonds7

About butyl hexanoate;λ2-stannane

butyl hexanoate;λ2-stannane (PubChem CID 174326470) has the molecular formula C10H22O2Sn and a molecular weight of 292.99 g/mol. Its IUPAC name is butyl hexanoate;λ2-stannane.

Molecular Properties

Compound Namebutyl hexanoate;λ2-stannane
PubChem CID174326470
Molecular FormulaC10H22O2Sn
Molecular Weight292.99 g/mol
Exact Mass294.06
IUPAC Namebutyl hexanoate;λ2-stannane
SMILESCCCCCC(=O)OCCCC.[SnH2]
InChIInChI=1S/C10H20O2.Sn.2H/c1-3-5-7-8-10(11)12-9-6-4-2;;;/h3-9H2,1-2H3;;;
InChIKeyFXIAYUMNEYKMHG-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.99
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl dodecanoate;stannane
CID 173127459
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
pentyl hexanoate
CID 10886
dibutyl heptadecanedioate
CID 87117348
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349

Frequently Asked Questions

What is the IUPAC name of butyl hexanoate;λ2-stannane?
The IUPAC name of butyl hexanoate;λ2-stannane (CID 174326470) is butyl hexanoate;λ2-stannane.
What is the SMILES notation for butyl hexanoate;λ2-stannane?
The canonical SMILES for butyl hexanoate;λ2-stannane is CCCCCC(=O)OCCCC.[SnH2].
What is the InChIKey of butyl hexanoate;λ2-stannane?
The InChIKey is FXIAYUMNEYKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Sn.2H/c1-3-5-7-8-10(11)12-9-6-4-2;;;/h3-9H2,1-2H3;;;.
What are the key properties of butyl hexanoate;λ2-stannane?
butyl hexanoate;λ2-stannane has a molecular weight of 292.99 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl hexanoate;λ2-stannane is sourced from PubChem (CID 174326470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).