5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione

C10H18O5Sn — CID 140543406

IUPAC5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione
SMILESCC(C)[Sn]1(C(C)C)OC(=O)CC(O)C(=O)O1
InChIInChI=1S/C4H6O5.2C3H7.Sn/c5-2(4(8)9)1-3(6)7;2*1-3-2;/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,1-2H3;/q;;;+2/p-2
InChIKeyNPWRSPPJYZNDEI-UHFFFAOYSA-L
MW336.96 g/mol
LogP1.10
Rot. Bonds2

About 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione

5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione (PubChem CID 140543406) has the molecular formula C10H18O5Sn and a molecular weight of 336.96 g/mol. Its IUPAC name is 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione
PubChem CID140543406
Molecular FormulaC10H18O5Sn
Molecular Weight336.96 g/mol
Exact Mass338.02
IUPAC Name5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione
SMILESCC(C)[Sn]1(C(C)C)OC(=O)CC(O)C(=O)O1
InChIInChI=1S/C4H6O5.2C3H7.Sn/c5-2(4(8)9)1-3(6)7;2*1-3-2;/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,1-2H3;/q;;;+2/p-2
InChIKeyNPWRSPPJYZNDEI-UHFFFAOYSA-L
XLogP1.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.96
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diethyl tartrate
CID 6993580
Diethyl malate
CID 24197
Butanedioic acid, hydroxy-, dimethyl ester, (2S)-
CID 10285815
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-
CID 62333
Diisopropyl tartrate
CID 6453580
(+)-Dibutyl tartrate
CID 6910
Dimethyl L-tartrate
CID 11851
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Dimethyl malate
CID 12674
Dimethyl [S(R*,R*)]-tartrate
CID 21142
Diethyl [S-(R*,R*)]-tartrate
CID 117410

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione?
The IUPAC name of 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione (CID 140543406) is 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione.
What is the SMILES notation for 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione?
The canonical SMILES for 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione is CC(C)[Sn]1(C(C)C)OC(=O)CC(O)C(=O)O1.
What is the InChIKey of 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione?
The InChIKey is NPWRSPPJYZNDEI-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.2C3H7.Sn/c5-2(4(8)9)1-3(6)7;2*1-3-2;/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,1-2H3;/q;;;+2/p-2.
What are the key properties of 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione?
5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione has a molecular weight of 336.96 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione is sourced from PubChem (CID 140543406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).