(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol

C13H22O2Si — CID 10354210

IUPAC(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol
SMILESCO[C@@]1(C)C(C)=C(C)[C@]1(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-10-11(2)13(14,12(10,3)15-4)8-9-16(5,6)7/h14H,1-7H3/t12-,13+/m0/s1
InChIKeyKYEORRMXGDKUIB-QWHCGFSZSA-N
MW238.40 g/mol
LogP2.35
Rot. Bonds1

About (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol

(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol (PubChem CID 10354210) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol
PubChem CID10354210
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol
SMILESCO[C@@]1(C)C(C)=C(C)[C@]1(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-10-11(2)13(14,12(10,3)15-4)8-9-16(5,6)7/h14H,1-7H3/t12-,13+/m0/s1
InChIKeyKYEORRMXGDKUIB-QWHCGFSZSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
CID 123619096
3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
CID 24764040
CID 24764040
[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
CID 10725845
(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol
CID 10247993
iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
CID 134901599
2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
CID 45094288
2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane
CID 564488
3-methoxy-3,4,4-trimethyloxetan-2-one
CID 12611183
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098
methyl (1R,5S)-5-hydroxy-5-(2-trimethylsilylethynyl)cyclohex-2-ene-1-carboxylate
CID 54291110
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-16-methylidene-17-(2-trimethylsilylethynyl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 71616944

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol?
The IUPAC name of (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol (CID 10354210) is (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol is CO[C@@]1(C)C(C)=C(C)[C@]1(O)C#C[Si](C)(C)C.
What is the InChIKey of (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol?
The InChIKey is KYEORRMXGDKUIB-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-10-11(2)13(14,12(10,3)15-4)8-9-16(5,6)7/h14H,1-7H3/t12-,13+/m0/s1.
What are the key properties of (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol?
(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol has a molecular weight of 238.40 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol is sourced from PubChem (CID 10354210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).