cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol

C21H38O2Sn — CID 10765597

IUPACcis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1C[C@]1(O)CCc1ccco1
InChIInChI=1S/C9H11O2.3C4H9.Sn/c10-9(5-6-9)4-3-8-2-1-7-11-8;3*1-3-4-2;/h1-2,5,7,10H,3-4,6H2;3*1,3-4H2,2H3;/t9-;;;;/m0..../s1
InChIKeySTFYGNHDWCWFKC-ZWACTXNCSA-N
MW441.24 g/mol
LogP6.57
Rot. Bonds13

About cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol

cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol (PubChem CID 10765597) has the molecular formula C21H38O2Sn and a molecular weight of 441.24 g/mol. Its IUPAC name is cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol
PubChem CID10765597
Molecular FormulaC21H38O2Sn
Molecular Weight441.24 g/mol
Exact Mass442.19
IUPAC Namecis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1C[C@]1(O)CCc1ccco1
InChIInChI=1S/C9H11O2.3C4H9.Sn/c10-9(5-6-9)4-3-8-2-1-7-11-8;3*1-3-4-2;/h1-2,5,7,10H,3-4,6H2;3*1,3-4H2,2H3;/t9-;;;;/m0..../s1
InChIKeySTFYGNHDWCWFKC-ZWACTXNCSA-N
XLogP6.57
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol (CID 10765597) is cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol is CCCC[Sn](CCCC)(CCCC)[C@H]1C[C@]1(O)CCc1ccco1.
What is the InChIKey of cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol?
The InChIKey is STFYGNHDWCWFKC-ZWACTXNCSA-N. The full InChI is InChI=1S/C9H11O2.3C4H9.Sn/c10-9(5-6-9)4-3-8-2-1-7-11-8;3*1-3-4-2;/h1-2,5,7,10H,3-4,6H2;3*1,3-4H2,2H3;/t9-;;;;/m0..../s1.
What are the key properties of cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol?
cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol has a molecular weight of 441.24 g/mol, XLogP of 6.57, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-[2-(furan-2-yl)ethyl]-2-tributylstannylcyclopropan-1-ol is sourced from PubChem (CID 10765597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).