[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane

C18H32O2Si — CID 59902711

IUPAC[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane
SMILESC=CC12CCCC(C)(C)[C@H]1[C@H](C)C(C)=C(O[Si](C)(C)C)O2
InChIInChI=1S/C18H32O2Si/c1-9-18-12-10-11-17(4,5)15(18)13(2)14(3)16(19-18)20-21(6,7)8/h9,13,15H,1,10-12H2,2-8H3/t13-,15-,18?/m1/s1
InChIKeyNKPUQYSSVUEUBQ-BUEHYOHHSA-N
MW308.54 g/mol
LogP5.49
Rot. Bonds3

About [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane

[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane (PubChem CID 59902711) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane
PubChem CID59902711
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane
SMILESC=CC12CCCC(C)(C)[C@H]1[C@H](C)C(C)=C(O[Si](C)(C)C)O2
InChIInChI=1S/C18H32O2Si/c1-9-18-12-10-11-17(4,5)15(18)13(2)14(3)16(19-18)20-21(6,7)8/h9,13,15H,1,10-12H2,2-8H3/t13-,15-,18?/m1/s1
InChIKeyNKPUQYSSVUEUBQ-BUEHYOHHSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 606815
(5-ethenyl-5-methyl-6-trimethylsilyloxycyclohexen-1-yl)oxy-trimethylsilane
CID 56958101
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
(1R,2R,4bS,8aS,9S,10S)-2-ethenyl-1-methoxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene-9,10-diol
CID 134138872
(1R,2R,5S,7R,8R,9S,10S,11R)-7,9,10,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-16-one
CID 6410789
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CID 138492860
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
CID 102257492
1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
CID 173414387
(4aR,4bS,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-9-one
CID 102214641
(1S,4S,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
CID 135296204
(1-ethenylcycloheptyl)oxy-trimethylsilane
CID 15418564

Frequently Asked Questions

What is the IUPAC name of [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane (CID 59902711) is [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane is C=CC12CCCC(C)(C)[C@H]1[C@H](C)C(C)=C(O[Si](C)(C)C)O2.
What is the InChIKey of [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane?
The InChIKey is NKPUQYSSVUEUBQ-BUEHYOHHSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-9-18-12-10-11-17(4,5)15(18)13(2)14(3)16(19-18)20-21(6,7)8/h9,13,15H,1,10-12H2,2-8H3/t13-,15-,18?/m1/s1.
What are the key properties of [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane?
[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 59902711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).