[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane

C21H36O2Si — CID 102446698

IUPAC[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC(CO[Si](C)(C)C(C)(C)C)=C2CO[C@@H](C3CCCCC3)[C@H]12
InChIInChI=1S/C21H36O2Si/c1-15-12-17(13-23-24(5,6)21(2,3)4)18-14-22-20(19(15)18)16-10-8-7-9-11-16/h16,19-20H,1,7-14H2,2-6H3/t19-,20+/m1/s1
InChIKeyMWVUWWOMXITCRG-UXHICEINSA-N
MW348.60 g/mol
LogP5.86
Rot. Bonds4

About [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane

[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102446698) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102446698
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC(CO[Si](C)(C)C(C)(C)C)=C2CO[C@@H](C3CCCCC3)[C@H]12
InChIInChI=1S/C21H36O2Si/c1-15-12-17(13-23-24(5,6)21(2,3)4)18-14-22-20(19(15)18)16-10-8-7-9-11-16/h16,19-20H,1,7-14H2,2-6H3/t19-,20+/m1/s1
InChIKeyMWVUWWOMXITCRG-UXHICEINSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.86
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 [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11198013
[(3R)-3-(3-butoxyprop-1-en-2-yl)-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427856
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-(3-cyclohexyloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427858
[(3R)-2-butyl-3-[(E)-3-cyclohexyloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427859
[(3R)-2-butyl-3-(3-pentan-3-yloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427862
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427870
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871
tert-butyl-dimethyl-[[(1S,2R,10S)-12-methyl-11-oxatricyclo[7.2.1.05,10]dodeca-5,9(12)-dien-2-yl]methoxy]silane
CID 21670601

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane (CID 102446698) is [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC(CO[Si](C)(C)C(C)(C)C)=C2CO[C@@H](C3CCCCC3)[C@H]12.
What is the InChIKey of [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MWVUWWOMXITCRG-UXHICEINSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-15-12-17(13-23-24(5,6)21(2,3)4)18-14-22-20(19(15)18)16-10-8-7-9-11-16/h16,19-20H,1,7-14H2,2-6H3/t19-,20+/m1/s1.
What are the key properties of [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 348.60 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR)-3-cyclohexyl-4-methylidene-1,3,3a,5-tetrahydrocyclopenta[c]furan-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102446698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).