[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane

C14H26O2Sn — CID 11405224

IUPAC[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
SMILESC=CC[C@]1([Sn](C)(C)C)CC12OCC(C)(C)CO2
InChIInChI=1S/C11H17O2.3CH3.Sn/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11;;;;/h4H,1,5-8H2,2-3H3;3*1H3;
InChIKeyBXMZCVULLOATLU-UHFFFAOYSA-N
MW345.07 g/mol
LogP3.81
Rot. Bonds3

About [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane

[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane (PubChem CID 11405224) has the molecular formula C14H26O2Sn and a molecular weight of 345.07 g/mol. Its IUPAC name is [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
PubChem CID11405224
Molecular FormulaC14H26O2Sn
Molecular Weight345.07 g/mol
Exact Mass346.10
IUPAC Name[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
SMILESC=CC[C@]1([Sn](C)(C)C)CC12OCC(C)(C)CO2
InChIInChI=1S/C11H17O2.3CH3.Sn/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11;;;;/h4H,1,5-8H2,2-3H3;3*1H3;
InChIKeyBXMZCVULLOATLU-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
CID 11053710
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67995672
2-prop-2-enyloxirane-2-thiol
CID 173350724
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
2,5,5-trimethyl-2-pent-4-enyl-1,3-dioxane
CID 55275489
3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
CID 174682526
1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
CID 70399256
2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
CID 79734892
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane
CID 10921768
2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768

Frequently Asked Questions

What is the IUPAC name of [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The IUPAC name of [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane (CID 11405224) is [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane.
What is the SMILES notation for [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The canonical SMILES for [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane is C=CC[C@]1([Sn](C)(C)C)CC12OCC(C)(C)CO2.
What is the InChIKey of [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
The InChIKey is BXMZCVULLOATLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2.3CH3.Sn/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11;;;;/h4H,1,5-8H2,2-3H3;3*1H3;.
What are the key properties of [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane?
[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane has a molecular weight of 345.07 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane is sourced from PubChem (CID 11405224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).