trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane

C14H26OSi — CID 101056977

IUPACtrimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane
SMILESC=CCCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C14H26OSi/c1-5-6-7-8-12-9-10-14(11-13(12)14)15-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,14-/m0/s1
InChIKeyHTWLTFTUKZOTLB-MJBXVCDLSA-N
MW238.45 g/mol
LogP4.36
Rot. Bonds6

About trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane

trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane (PubChem CID 101056977) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane
PubChem CID101056977
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametrimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane
SMILESC=CCCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C14H26OSi/c1-5-6-7-8-12-9-10-14(11-13(12)14)15-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,14-/m0/s1
InChIKeyHTWLTFTUKZOTLB-MJBXVCDLSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane (CID 101056977) is trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane is C=CCCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12.
What is the InChIKey of trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane?
The InChIKey is HTWLTFTUKZOTLB-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H26OSi/c1-5-6-7-8-12-9-10-14(11-13(12)14)15-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,14-/m0/s1.
What are the key properties of trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane?
trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane has a molecular weight of 238.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane is sourced from PubChem (CID 101056977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).