[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane

C25H48O2Si — CID 139253916

IUPAC[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
SMILESCCC1(CC)[C@@H](OC)CC(C2=CCCCC2)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O2Si/c1-10-25(11-2)23(26-9)17-22(21-15-13-12-14-16-21)24(25)27-28(18(3)4,19(5)6)20(7)8/h15,18-20,22-24H,10-14,16-17H2,1-9H3/t22?,23-,24-/m0/s1
InChIKeyXRQZJFZJVYLQLS-VYCPFJESSA-N
MW408.74 g/mol
LogP7.89
Rot. Bonds9

About [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane

[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane (PubChem CID 139253916) has the molecular formula C25H48O2Si and a molecular weight of 408.74 g/mol. Its IUPAC name is [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
PubChem CID139253916
Molecular FormulaC25H48O2Si
Molecular Weight408.74 g/mol
Exact Mass408.34
IUPAC Name[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
SMILESCCC1(CC)[C@@H](OC)CC(C2=CCCCC2)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O2Si/c1-10-25(11-2)23(26-9)17-22(21-15-13-12-14-16-21)24(25)27-28(18(3)4,19(5)6)20(7)8/h15,18-20,22-24H,10-14,16-17H2,1-9H3/t22?,23-,24-/m0/s1
InChIKeyXRQZJFZJVYLQLS-VYCPFJESSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 57.89
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 [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
[(1S,3S,4S)-1-methoxy-3-prop-1-en-2-ylspiro[4.5]decan-4-yl]oxy-tri(propan-2-yl)silane
CID 101809475
[(1S,3S,4S)-3-(cyclohexen-1-yl)-1-methoxyspiro[4.5]decan-4-yl]oxy-tri(propan-2-yl)silane
CID 101809478
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
[(1R,3aE,6Z,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,5,8,9,9a-hexahydrocyclopenta[8]annulen-4-yl]-trimethylsilane
CID 135031663
[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
CID 135031986
[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253910
[(1S,3S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253913
[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253914
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253918
(2S,4R)-4-[(1S,3S,4S)-3-prop-1-en-2-yl-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
CID 139253919

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane (CID 139253916) is [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane is CCC1(CC)[C@@H](OC)CC(C2=CCCCC2)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane?
The InChIKey is XRQZJFZJVYLQLS-VYCPFJESSA-N. The full InChI is InChI=1S/C25H48O2Si/c1-10-25(11-2)23(26-9)17-22(21-15-13-12-14-16-21)24(25)27-28(18(3)4,19(5)6)20(7)8/h15,18-20,22-24H,10-14,16-17H2,1-9H3/t22?,23-,24-/m0/s1.
What are the key properties of [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane?
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane has a molecular weight of 408.74 g/mol, XLogP of 7.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139253916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).