trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane

C22H33BO2Si — CID 134999322

IUPACtrimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@]1(c3ccccc3)OB(C/C=C\[Si](C)(C)C)O[C@H]21
InChIInChI=1S/C22H33BO2Si/c1-20(2)18-13-14-21(20,3)22(17-11-8-7-9-12-17)19(18)24-23(25-22)15-10-16-26(4,5)6/h7-12,16,18-19H,13-15H2,1-6H3/b16-10-/t18-,19-,21-,22-/m1/s1
InChIKeyMDNHXARVOTVWRK-HXZRUUFXSA-N
MW368.40 g/mol
LogP5.68
Rot. Bonds4

About trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane

trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane (PubChem CID 134999322) has the molecular formula C22H33BO2Si and a molecular weight of 368.40 g/mol. Its IUPAC name is trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane
PubChem CID134999322
Molecular FormulaC22H33BO2Si
Molecular Weight368.40 g/mol
Exact Mass368.23
IUPAC Nametrimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@]1(c3ccccc3)OB(C/C=C\[Si](C)(C)C)O[C@H]21
InChIInChI=1S/C22H33BO2Si/c1-20(2)18-13-14-21(20,3)22(17-11-8-7-9-12-17)19(18)24-23(25-22)15-10-16-26(4,5)6/h7-12,16,18-19H,13-15H2,1-6H3/b16-10-/t18-,19-,21-,22-/m1/s1
InChIKeyMDNHXARVOTVWRK-HXZRUUFXSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane?
The IUPAC name of trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane (CID 134999322) is trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane.
What is the SMILES notation for trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane?
The canonical SMILES for trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane is CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(c3ccccc3)OB(C/C=C\[Si](C)(C)C)O[C@H]21.
What is the InChIKey of trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane?
The InChIKey is MDNHXARVOTVWRK-HXZRUUFXSA-N. The full InChI is InChI=1S/C22H33BO2Si/c1-20(2)18-13-14-21(20,3)22(17-11-8-7-9-12-17)19(18)24-23(25-22)15-10-16-26(4,5)6/h7-12,16,18-19H,13-15H2,1-6H3/b16-10-/t18-,19-,21-,22-/m1/s1.
What are the key properties of trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane?
trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane has a molecular weight of 368.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-3-[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]prop-1-enyl]silane is sourced from PubChem (CID 134999322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).