methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate

C30H58O6Si2 — CID 101451603

IUPACmethyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate
SMILESC=C1COC2(C(=O)OC)O[C@H](CCCCCCC)[C@@](C)(O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)C12
InChIInChI=1S/C30H58O6Si2/c1-11-18-19-20-21-22-25-29(9,36-38(15-5,16-6)17-7)27(35-37(12-2,13-3)14-4)26-24(8)23-33-30(26,34-25)28(31)32-10/h25-27H,8,11-23H2,1-7,9-10H3/t25-,26?,27-,29-,30?/m1/s1
InChIKeyRMGULWHUWRYDGG-JTMBGQKHSA-N
MW570.96 g/mol
LogP7.99
Rot. Bonds17

About methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate

methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate (PubChem CID 101451603) has the molecular formula C30H58O6Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate
PubChem CID101451603
Molecular FormulaC30H58O6Si2
Molecular Weight570.96 g/mol
Exact Mass570.38
IUPAC Namemethyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate
SMILESC=C1COC2(C(=O)OC)O[C@H](CCCCCCC)[C@@](C)(O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)C12
InChIInChI=1S/C30H58O6Si2/c1-11-18-19-20-21-22-25-29(9,36-38(15-5,16-6)17-7)27(35-37(12-2,13-3)14-4)26-24(8)23-33-30(26,34-25)28(31)32-10/h25-27H,8,11-23H2,1-7,9-10H3/t25-,26?,27-,29-,30?/m1/s1
InChIKeyRMGULWHUWRYDGG-JTMBGQKHSA-N
XLogP7.99
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate with MolForge

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Related Compounds

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CID 102446644
2-hydroxy-3-nonyloxirane-2-carboxylic acid
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2-hexyl-5-methyl-1,3-dioxane-5-carboxylic acid
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CID 18949694
[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl] (3S)-2-hexyl-3-methyl-4-methylidene-5-oxooxolane-3-carboxylate
CID 143515230
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
dimethyl 3-butyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 24973751
dimethyl 3-hexylcyclobutene-1,2-dicarboxylate
CID 11075996
methyl (1R,4S,5R,6S)-6-hexyl-5-methoxy-1,2-dimethyl-3-oxo-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylate
CID 15419790
2-pentyl-1,4-dioxaspiro[2.2]pentane
CID 56981326
trans-dimethyl (3S,4S)-3-pentyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 102006866

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate?
The IUPAC name of methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate (CID 101451603) is methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate.
What is the SMILES notation for methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate?
The canonical SMILES for methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate is C=C1COC2(C(=O)OC)O[C@H](CCCCCCC)[C@@](C)(O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)C12.
What is the InChIKey of methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate?
The InChIKey is RMGULWHUWRYDGG-JTMBGQKHSA-N. The full InChI is InChI=1S/C30H58O6Si2/c1-11-18-19-20-21-22-25-29(9,36-38(15-5,16-6)17-7)27(35-37(12-2,13-3)14-4)26-24(8)23-33-30(26,34-25)28(31)32-10/h25-27H,8,11-23H2,1-7,9-10H3/t25-,26?,27-,29-,30?/m1/s1.
What are the key properties of methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate?
methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate has a molecular weight of 570.96 g/mol, XLogP of 7.99, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate is sourced from PubChem (CID 101451603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).