[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol

C16H28O4Si — CID 134951405

IUPAC[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol
SMILESC[C@@]1(CO)COC2C[C@@]3(CC[C@@H](/C=C/[Si](C)(C)C)O3)O[C@@H]21
InChIInChI=1S/C16H28O4Si/c1-15(10-17)11-18-13-9-16(20-14(13)15)7-5-12(19-16)6-8-21(2,3)4/h6,8,12-14,17H,5,7,9-11H2,1-4H3/b8-6+/t12-,13?,14-,15+,16+/m0/s1
InChIKeyXQJSBVLYQBDRKE-BBOKADNHSA-N
MW312.48 g/mol
LogP2.48
Rot. Bonds3

About [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol

[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol (PubChem CID 134951405) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol.

Molecular Properties

Compound Name[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol
PubChem CID134951405
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol
SMILESC[C@@]1(CO)COC2C[C@@]3(CC[C@@H](/C=C/[Si](C)(C)C)O3)O[C@@H]21
InChIInChI=1S/C16H28O4Si/c1-15(10-17)11-18-13-9-16(20-14(13)15)7-5-12(19-16)6-8-21(2,3)4/h6,8,12-14,17H,5,7,9-11H2,1-4H3/b8-6+/t12-,13?,14-,15+,16+/m0/s1
InChIKeyXQJSBVLYQBDRKE-BBOKADNHSA-N
XLogP2.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol with MolForge

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Related Compounds

[1-methyl-2-[(E)-2-trimethylsilylethenyl]cyclopropyl]methanol
CID 10352378
(4S,6S)-4-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-6-ol
CID 134970585
(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 130151113
[(1R,2R)-1-methyl-2-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 155930490
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
5,5-dimethyl-7-(3-methylpenta-1,3-dienyl)-1,6-dioxaspiro[2.5]octane
CID 123616399
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
2-oxabicyclo[2.2.2]octan-4-ylmethanol
CID 135392871
3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclobutan-1-amine
CID 103394032

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol?
The IUPAC name of [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol (CID 134951405) is [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol.
What is the SMILES notation for [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol?
The canonical SMILES for [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol is C[C@@]1(CO)COC2C[C@@]3(CC[C@@H](/C=C/[Si](C)(C)C)O3)O[C@@H]21.
What is the InChIKey of [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol?
The InChIKey is XQJSBVLYQBDRKE-BBOKADNHSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(10-17)11-18-13-9-16(20-14(13)15)7-5-12(19-16)6-8-21(2,3)4/h6,8,12-14,17H,5,7,9-11H2,1-4H3/b8-6+/t12-,13?,14-,15+,16+/m0/s1.
What are the key properties of [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol?
[(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol has a molecular weight of 312.48 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,5R,5'S)-3-methyl-5'-[(E)-2-trimethylsilylethenyl]spiro[2,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-3-yl]methanol is sourced from PubChem (CID 134951405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).