(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol

C12H18O3Si — CID 11020968

IUPAC(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol
SMILESC[Si](C)(C)C#C[C@@H](O)C[C@H](O)c1ccoc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)7-5-11(13)8-12(14)10-4-6-15-9-10/h4,6,9,11-14H,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyQTRODEBLWSPZSG-NEPJUHHUSA-N
MW238.36 g/mol
LogP1.94
Rot. Bonds3

About (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol

(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol (PubChem CID 11020968) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol
PubChem CID11020968
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol
SMILESC[Si](C)(C)C#C[C@@H](O)C[C@H](O)c1ccoc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)7-5-11(13)8-12(14)10-4-6-15-9-10/h4,6,9,11-14H,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyQTRODEBLWSPZSG-NEPJUHHUSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-yl)-3-phenylbutan-1-ol
CID 63948352
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CID 11252037
CID 134942666
CID 134942666
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
1,2-bis(furan-3-yl)ethanol
CID 83172033
(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
1-(furan-3-yl)-2,2-dimethylbutan-1-ol
CID 115797313
2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
CID 65132820

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol?
The IUPAC name of (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol (CID 11020968) is (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol.
What is the SMILES notation for (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol?
The canonical SMILES for (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol is C[Si](C)(C)C#C[C@@H](O)C[C@H](O)c1ccoc1.
What is the InChIKey of (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol?
The InChIKey is QTRODEBLWSPZSG-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-16(2,3)7-5-11(13)8-12(14)10-4-6-15-9-10/h4,6,9,11-14H,8H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol?
(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol has a molecular weight of 238.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol is sourced from PubChem (CID 11020968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).