[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane

C23H42O2Si — CID 10959821

IUPAC[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC[C@H]1OC[C@]23CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@H]13
InChIInChI=1S/C23H42O2Si/c1-17(2)10-8-11-20-18-13-14-19-21(25-26(6,7)22(3,4)5)12-9-15-23(18,19)16-24-20/h10,18-21H,8-9,11-16H2,1-7H3/t18-,19+,20-,21+,23+/m1/s1
InChIKeyYNGYVDAYZMSMJH-YBNCXLCVSA-N
MW378.67 g/mol
LogP6.72
Rot. Bonds5

About [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane

[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10959821) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10959821
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Name[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC[C@H]1OC[C@]23CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@H]13
InChIInChI=1S/C23H42O2Si/c1-17(2)10-8-11-20-18-13-14-19-21(25-26(6,7)22(3,4)5)12-9-15-23(18,19)16-24-20/h10,18-21H,8-9,11-16H2,1-7H3/t18-,19+,20-,21+,23+/m1/s1
InChIKeyYNGYVDAYZMSMJH-YBNCXLCVSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane (CID 10959821) is [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane is CC(C)=CCC[C@H]1OC[C@]23CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@H]13.
What is the InChIKey of [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YNGYVDAYZMSMJH-YBNCXLCVSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-17(2)10-8-11-20-18-13-14-19-21(25-26(6,7)22(3,4)5)12-9-15-23(18,19)16-24-20/h10,18-21H,8-9,11-16H2,1-7H3/t18-,19+,20-,21+,23+/m1/s1.
What are the key properties of [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane?
[(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 378.67 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,5aR,6S,9aS)-3-(4-methylpent-3-enyl)-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).