(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol

C16H30O4Si — CID 167457344

IUPAC(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H]1O
InChIInChI=1S/C16H30O4Si/c1-8-9-11-13(17)14-12(19-11)10-18-21(20-14,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13-,14+/m0/s1
InChIKeyREKWURQAWJRFRB-RFQIPJPRSA-N
MW314.50 g/mol
LogP3.15
Rot. Bonds2

About (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol

(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 167457344) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID167457344
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H]1O
InChIInChI=1S/C16H30O4Si/c1-8-9-11-13(17)14-12(19-11)10-18-21(20-14,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13-,14+/m0/s1
InChIKeyREKWURQAWJRFRB-RFQIPJPRSA-N
XLogP3.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol (CID 167457344) is (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol.
What is the SMILES notation for (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol is C=CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H]1O.
What is the InChIKey of (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is REKWURQAWJRFRB-RFQIPJPRSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-8-9-11-13(17)14-12(19-11)10-18-21(20-14,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 314.50 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7S,7aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 167457344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).