tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane

C22H44OSn — CID 11729936

IUPACtributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1CCC(C)(C)C=C1C
InChIInChI=1S/C10H17O.3C4H9.Sn/c1-8-7-10(2,3)6-5-9(8)11-4;3*1-3-4-2;/h7,9H,4-6H2,1-3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyJFQVMLLJIRXDLR-RASHCQHBSA-N
MW443.30 g/mol
LogP7.53
Rot. Bonds12

About tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane

tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane (PubChem CID 11729936) has the molecular formula C22H44OSn and a molecular weight of 443.30 g/mol. Its IUPAC name is tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane.

Molecular Properties

Compound Nametributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane
PubChem CID11729936
Molecular FormulaC22H44OSn
Molecular Weight443.30 g/mol
Exact Mass444.24
IUPAC Nametributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1CCC(C)(C)C=C1C
InChIInChI=1S/C10H17O.3C4H9.Sn/c1-8-7-10(2,3)6-5-9(8)11-4;3*1-3-4-2;/h7,9H,4-6H2,1-3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyJFQVMLLJIRXDLR-RASHCQHBSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane with MolForge

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Related Compounds

6-butyl-1,3,3-trimethylcyclohexene
CID 176917622
(2,4,4-trimethylcyclohex-2-en-1-yl)methyl butanoate
CID 91664368
(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine
CID 155978071
tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
tributyl(methoxymethoxymethyl)stannane
CID 4193592
1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene
CID 140982980
3-(tributylstannylmethoxymethoxy)propan-1-amine
CID 175081278
N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine
CID 121014630
2-(2,4,4-trimethylcyclohex-2-en-1-yl)but-3-yn-2-ol
CID 23350222
trimethyl-(3-methyl-3-tributylstannylcyclohexen-1-yl)oxysilane
CID 86132156

Frequently Asked Questions

What is the IUPAC name of tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane?
The IUPAC name of tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane (CID 11729936) is tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane.
What is the SMILES notation for tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane?
The canonical SMILES for tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane is CCCC[Sn](CCCC)(CCCC)CO[C@@H]1CCC(C)(C)C=C1C.
What is the InChIKey of tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane?
The InChIKey is JFQVMLLJIRXDLR-RASHCQHBSA-N. The full InChI is InChI=1S/C10H17O.3C4H9.Sn/c1-8-7-10(2,3)6-5-9(8)11-4;3*1-3-4-2;/h7,9H,4-6H2,1-3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1.
What are the key properties of tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane?
tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane has a molecular weight of 443.30 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane is sourced from PubChem (CID 11729936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).