tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane

C17H32O2Si — CID 101077758

IUPACtert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane
SMILESCO[C@@]1(C2=CCCCC2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-13-15-12-17(15,18-4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17+/m0/s1
InChIKeyAQCYFMZOLJYTCM-DOTOQJQBSA-N
MW296.53 g/mol
LogP4.91
Rot. Bonds5

About tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane (PubChem CID 101077758) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane
PubChem CID101077758
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane
SMILESCO[C@@]1(C2=CCCCC2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-13-15-12-17(15,18-4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17+/m0/s1
InChIKeyAQCYFMZOLJYTCM-DOTOQJQBSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.91
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'}

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Related Compounds

tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
CID 58760686
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane
CID 101077777
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
tert-butyl-dimethyl-(3H-pyrrol-5-ylmethoxy)silane
CID 59493931
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
CID 135062140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane (CID 101077758) is tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane is CO[C@@]1(C2=CCCCC2)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane?
The InChIKey is AQCYFMZOLJYTCM-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-13-15-12-17(15,18-4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane is sourced from PubChem (CID 101077758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).