(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline

C19H36O3Si — CID 159465366

IUPAC(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESC=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C19H36O3Si/c1-10-13(2)17-14(3)11-15-16(21-17)12-20-23(22-15,18(4,5)6)19(7,8)9/h10,13-17H,1,11-12H2,2-9H3/t13-,14+,15-,16-,17+/m1/s1
InChIKeyLVCNJKFQUSNBOG-JJTUDDRGSA-N
MW340.58 g/mol
LogP5.06
Rot. Bonds2

About (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline

(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline (PubChem CID 159465366) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline.

Molecular Properties

Compound Name(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline
PubChem CID159465366
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESC=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C19H36O3Si/c1-10-13(2)17-14(3)11-15-16(21-17)12-20-23(22-15,18(4,5)6)19(7,8)9/h10,13-17H,1,11-12H2,2-9H3/t13-,14+,15-,16-,17+/m1/s1
InChIKeyLVCNJKFQUSNBOG-JJTUDDRGSA-N
XLogP5.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
tert-butyl-dimethyl-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 134960630
tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
CID 90365491
[(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140857069
[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 140857075
(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 140857084
[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane
CID 147530787
(4aR,6S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 149171807
(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-6-methyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 155625799
[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 158328800
tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane
CID 158328802
(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 158498590

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline?
The IUPAC name of (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline (CID 159465366) is (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline.
What is the SMILES notation for (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline?
The canonical SMILES for (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline is C=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1C.
What is the InChIKey of (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline?
The InChIKey is LVCNJKFQUSNBOG-JJTUDDRGSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-10-13(2)17-14(3)11-15-16(21-17)12-20-23(22-15,18(4,5)6)19(7,8)9/h10,13-17H,1,11-12H2,2-9H3/t13-,14+,15-,16-,17+/m1/s1.
What are the key properties of (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline?
(4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline has a molecular weight of 340.58 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasiline is sourced from PubChem (CID 159465366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).