[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane

C23H30O2Si — CID 134867155

IUPAC[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C=CC[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H30O2Si/c1-26(2,3)22-16-10-15-21(24-17-19-11-6-4-7-12-19)23(22)25-18-20-13-8-5-9-14-20/h4-14,16,21-23H,15,17-18H2,1-3H3/t21-,22-,23-/m0/s1
InChIKeyINQPVBFCPMRYES-VABKMULXSA-N
MW366.58 g/mol
LogP5.83
Rot. Bonds7

About [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane

[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane (PubChem CID 134867155) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
PubChem CID134867155
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C=CC[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H30O2Si/c1-26(2,3)22-16-10-15-21(24-17-19-11-6-4-7-12-19)23(22)25-18-20-13-8-5-9-14-20/h4-14,16,21-23H,15,17-18H2,1-3H3/t21-,22-,23-/m0/s1
InChIKeyINQPVBFCPMRYES-VABKMULXSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 55.83
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

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4R,5R,7Z)-4,5-bis(phenylmethoxy)-3,4,5,6-tetrahydro-2H-oxocin-3-ol
CID 101457735
(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
CID 102115662
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane
CID 10626542
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860

Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane?
The IUPAC name of [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane (CID 134867155) is [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane.
What is the SMILES notation for [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane?
The canonical SMILES for [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane is C[Si](C)(C)[C@H]1C=CC[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane?
The InChIKey is INQPVBFCPMRYES-VABKMULXSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-26(2,3)22-16-10-15-21(24-17-19-11-6-4-7-12-19)23(22)25-18-20-13-8-5-9-14-20/h4-14,16,21-23H,15,17-18H2,1-3H3/t21-,22-,23-/m0/s1.
What are the key properties of [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane?
[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane has a molecular weight of 366.58 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane is sourced from PubChem (CID 134867155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).