(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol

C18H38O3Sn — CID 11166077

IUPAC(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H11O3.3C4H9.Sn/c1-6(2)8-4-5(3-7)9-6;3*1-3-4-2;/h3,5,7H,4H2,1-2H3;3*1,3-4H2,2H3;/t5-;;;;/m0..../s1
InChIKeyUUSMPPIZERGBAP-OUTKXMMCSA-N
MW421.21 g/mol
LogP4.89
Rot. Bonds11

About (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol

(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol (PubChem CID 11166077) has the molecular formula C18H38O3Sn and a molecular weight of 421.21 g/mol. Its IUPAC name is (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol.

Molecular Properties

Compound Name(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
PubChem CID11166077
Molecular FormulaC18H38O3Sn
Molecular Weight421.21 g/mol
Exact Mass422.18
IUPAC Name(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H11O3.3C4H9.Sn/c1-6(2)8-4-5(3-7)9-6;3*1-3-4-2;/h3,5,7H,4H2,1-2H3;3*1,3-4H2,2H3;/t5-;;;;/m0..../s1
InChIKeyUUSMPPIZERGBAP-OUTKXMMCSA-N
XLogP4.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 100917328
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
tributyl-[(1R)-1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]propyl]stannane
CID 15358411
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 14061487
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,4-trihydroxybutan-2-one
CID 101217854
1-butylsulfanyl-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]pent-4-ene-1-selone
CID 10713866
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144

Frequently Asked Questions

What is the IUPAC name of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol?
The IUPAC name of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol (CID 11166077) is (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol.
What is the SMILES notation for (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol?
The canonical SMILES for (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol is CCCC[Sn](CCCC)(CCCC)[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol?
The InChIKey is UUSMPPIZERGBAP-OUTKXMMCSA-N. The full InChI is InChI=1S/C6H11O3.3C4H9.Sn/c1-6(2)8-4-5(3-7)9-6;3*1-3-4-2;/h3,5,7H,4H2,1-2H3;3*1,3-4H2,2H3;/t5-;;;;/m0..../s1.
What are the key properties of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol?
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol has a molecular weight of 421.21 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol is sourced from PubChem (CID 11166077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).