butyl dodecanoate;stannane

C16H36O2Sn — CID 173127459

IUPACbutyl dodecanoate;stannane
SMILESCCCCCCCCCCCC(=O)OCCCC.[SnH4]
InChIInChI=1S/C16H32O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2;;;;;/h3-15H2,1-2H3;;;;;
InChIKeyAAWYQPMGOARMPX-UHFFFAOYSA-N
MW379.17 g/mol
LogP3.80
Rot. Bonds13

About butyl dodecanoate;stannane

butyl dodecanoate;stannane (PubChem CID 173127459) has the molecular formula C16H36O2Sn and a molecular weight of 379.17 g/mol. Its IUPAC name is butyl dodecanoate;stannane.

Molecular Properties

Compound Namebutyl dodecanoate;stannane
PubChem CID173127459
Molecular FormulaC16H36O2Sn
Molecular Weight379.17 g/mol
Exact Mass380.17
IUPAC Namebutyl dodecanoate;stannane
SMILESCCCCCCCCCCCC(=O)OCCCC.[SnH4]
InChIInChI=1S/C16H32O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2;;;;;/h3-15H2,1-2H3;;;;;
InChIKeyAAWYQPMGOARMPX-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 53.80
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 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 7-O-nonyl heptanedioate
CID 91732654
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
dibutyl heptadecanedioate
CID 87117348
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855

Frequently Asked Questions

What is the IUPAC name of butyl dodecanoate;stannane?
The IUPAC name of butyl dodecanoate;stannane (CID 173127459) is butyl dodecanoate;stannane.
What is the SMILES notation for butyl dodecanoate;stannane?
The canonical SMILES for butyl dodecanoate;stannane is CCCCCCCCCCCC(=O)OCCCC.[SnH4].
What is the InChIKey of butyl dodecanoate;stannane?
The InChIKey is AAWYQPMGOARMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2;;;;;/h3-15H2,1-2H3;;;;;.
What are the key properties of butyl dodecanoate;stannane?
butyl dodecanoate;stannane has a molecular weight of 379.17 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl dodecanoate;stannane is sourced from PubChem (CID 173127459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).