(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

C17H26O3Si — CID 162416830

IUPAC(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(C)C12CC[C@@H](C)C1([C@@H](O)C#C[Si](C)(C)C)CC(=O)O2
InChIInChI=1S/C17H26O3Si/c1-12(2)17-9-7-13(3)16(17,11-15(19)20-17)14(18)8-10-21(4,5)6/h13-14,18H,1,7,9,11H2,2-6H3/t13-,14+,16?,17?/m1/s1
InChIKeyDRFQPJHWGBOPPN-VBJONLRCSA-N
MW306.48 g/mol
LogP2.91
Rot. Bonds2

About (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 162416830) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
PubChem CID162416830
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(C)C12CC[C@@H](C)C1([C@@H](O)C#C[Si](C)(C)C)CC(=O)O2
InChIInChI=1S/C17H26O3Si/c1-12(2)17-9-7-13(3)16(17,11-15(19)20-17)14(18)8-10-21(4,5)6/h13-14,18H,1,7,9,11H2,2-6H3/t13-,14+,16?,17?/m1/s1
InChIKeyDRFQPJHWGBOPPN-VBJONLRCSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (CID 162416830) is (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is C=C(C)C12CC[C@@H](C)C1([C@@H](O)C#C[Si](C)(C)C)CC(=O)O2.
What is the InChIKey of (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is DRFQPJHWGBOPPN-VBJONLRCSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-12(2)17-9-7-13(3)16(17,11-15(19)20-17)14(18)8-10-21(4,5)6/h13-14,18H,1,7,9,11H2,2-6H3/t13-,14+,16?,17?/m1/s1.
What are the key properties of (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
(4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 306.48 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3a-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-4-methyl-6a-prop-1-en-2-yl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 162416830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).