trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane

C17H31BO2Si — CID 102275573

IUPACtrimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane
SMILESC=C[C@@H](C[Si](C)(C)C)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1
InChIInChI=1S/C17H31BO2Si/c1-8-13(11-21(5,6)7)18-19-15-10-12-9-14(16(12,2)3)17(15,4)20-18/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14-,15+,17-/m1/s1
InChIKeyGNSSYMOUZLVGMX-LBKYZSNHSA-N
MW306.33 g/mol
LogP4.61
Rot. Bonds4

About trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane

trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane (PubChem CID 102275573) has the molecular formula C17H31BO2Si and a molecular weight of 306.33 g/mol. Its IUPAC name is trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane
PubChem CID102275573
Molecular FormulaC17H31BO2Si
Molecular Weight306.33 g/mol
Exact Mass306.22
IUPAC Nametrimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane
SMILESC=C[C@@H](C[Si](C)(C)C)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1
InChIInChI=1S/C17H31BO2Si/c1-8-13(11-21(5,6)7)18-19-15-10-12-9-14(16(12,2)3)17(15,4)20-18/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14-,15+,17-/m1/s1
InChIKeyGNSSYMOUZLVGMX-LBKYZSNHSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.61
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'}

Analyze trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane with MolForge

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Related Compounds

(3aS,4S,6S,7aR)-3a,5,5-Trimethyl-2-(prop-2-en-1-yl)hexahydro-2H-4,6-methano-1,3,2-benzodioxaborole
CID 71310588
(1S,2S,6R,8S)-2,9,9-trimethyl-4-[(1E)-3-methylbuta-1,3-dienyl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 134854886
(1S,2S,8S)-2,9,9-trimethyl-4-prop-2-enyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 141645936
2,9,9-trimethyl-4-[(2R)-1,1,1-trifluorooct-7-en-2-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 143689935
(1S,2S,8S)-2,9,9-trimethyl-4-prop-1-en-2-yl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 134890709
(1S,2S,8S)-4-buta-1,3-dien-2-yl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 134903570
(2R)-4-[(2S)-but-3-en-2-yl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 134964340
(1S,2S,6R,8S)-4-[(3S)-hept-1-en-3-yl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 135048141
(1R,2R,6S,8R)-4-[(2S)-but-3-en-2-yl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 135060035
tert-butyl-[[6,6-dimethyl-3-[(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]-3-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 154712425
(6R,8R)-2,9,9-trimethyl-4-prop-2-enyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 162419880
2,9,9-Trimethyl-4-oct-7-enyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 59320033

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane?
The IUPAC name of trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane (CID 102275573) is trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane.
What is the SMILES notation for trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane?
The canonical SMILES for trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane is C=C[C@@H](C[Si](C)(C)C)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1.
What is the InChIKey of trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane?
The InChIKey is GNSSYMOUZLVGMX-LBKYZSNHSA-N. The full InChI is InChI=1S/C17H31BO2Si/c1-8-13(11-21(5,6)7)18-19-15-10-12-9-14(16(12,2)3)17(15,4)20-18/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14-,15+,17-/m1/s1.
What are the key properties of trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane?
trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane has a molecular weight of 306.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]but-3-enyl]silane is sourced from PubChem (CID 102275573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).