3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene

C16H30O2Sn — CID 18766957

IUPAC3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO1
InChIInChI=1S/C8H12O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-2H,3-7H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyBIDNWKYKDJAFGW-UHFFFAOYSA-N
MW373.13 g/mol
LogP4.80
Rot. Bonds6

About 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene

3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene (PubChem CID 18766957) has the molecular formula C16H30O2Sn and a molecular weight of 373.13 g/mol. Its IUPAC name is 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene
PubChem CID18766957
Molecular FormulaC16H30O2Sn
Molecular Weight373.13 g/mol
Exact Mass374.13
IUPAC Name3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO1
InChIInChI=1S/C8H12O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-2H,3-7H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyBIDNWKYKDJAFGW-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene 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

4,4-Bis(vinyloxymethyl)cyclohexene
CID 89106982
8,8-Dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene
CID 18766945
4,4-Bis(methoxymethyl)cyclohexene
CID 58930746
4,4-Bis(prop-1-enoxymethyl)cyclohexene
CID 139896269
[1-(Methoxymethyl)cyclohex-3-en-1-yl]methyl hypoiodite
CID 148079291
4,4-Bis(methoxymethyl)cyclohexene;methane
CID 157055954
4,4-Bis(ethoxymethyl)cyclohexene
CID 161929784
4,4-Bis(propoxymethyl)cyclohexene
CID 173628099
4,4-Bis(tert-butoxymethyl)cyclohex-1-ene
CID 71420705
9,9,20,20-Tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene
CID 177496437

Frequently Asked Questions

What is the IUPAC name of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene?
The IUPAC name of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene (CID 18766957) is 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene.
What is the SMILES notation for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene?
The canonical SMILES for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene is CCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO1.
What is the InChIKey of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene?
The InChIKey is BIDNWKYKDJAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.2C4H9.Sn/c9-6-8(7-10)4-2-1-3-5-8;2*1-3-4-2;/h1-2H,3-7H2;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene?
3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene has a molecular weight of 373.13 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-9-ene is sourced from PubChem (CID 18766957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).