(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine

C20H43NO3Sn — CID 155978071

IUPAC(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1COC(C)(C)OC[C@H]1N
InChIInChI=1S/C8H16NO3.3C4H9.Sn/c1-8(2)11-4-6(9)7(10-3)5-12-8;3*1-3-4-2;/h6-7H,3-5,9H2,1-2H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1
InChIKeyREQXFTJZXINFAP-GPNPRUALSA-N
MW464.28 g/mol
LogP4.87
Rot. Bonds12

About (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine

(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine (PubChem CID 155978071) has the molecular formula C20H43NO3Sn and a molecular weight of 464.28 g/mol. Its IUPAC name is (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine.

Molecular Properties

Compound Name(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine
PubChem CID155978071
Molecular FormulaC20H43NO3Sn
Molecular Weight464.28 g/mol
Exact Mass465.23
IUPAC Name(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1COC(C)(C)OC[C@H]1N
InChIInChI=1S/C8H16NO3.3C4H9.Sn/c1-8(2)11-4-6(9)7(10-3)5-12-8;3*1-3-4-2;/h6-7H,3-5,9H2,1-2H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1
InChIKeyREQXFTJZXINFAP-GPNPRUALSA-N
XLogP4.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine?
The IUPAC name of (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine (CID 155978071) is (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine.
What is the SMILES notation for (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine?
The canonical SMILES for (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine is CCCC[Sn](CCCC)(CCCC)CO[C@@H]1COC(C)(C)OC[C@H]1N.
What is the InChIKey of (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine?
The InChIKey is REQXFTJZXINFAP-GPNPRUALSA-N. The full InChI is InChI=1S/C8H16NO3.3C4H9.Sn/c1-8(2)11-4-6(9)7(10-3)5-12-8;3*1-3-4-2;/h6-7H,3-5,9H2,1-2H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1.
What are the key properties of (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine?
(5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine has a molecular weight of 464.28 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2,2-dimethyl-6-(tributylstannylmethoxy)-1,3-dioxepan-5-amine is sourced from PubChem (CID 155978071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).