[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

C20H40O2Si — CID 139253910

IUPAC[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@@H]1C[C@H](OC)C(C)(C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-13(2)17-12-18(21-11)20(9,10)19(17)22-23(14(3)4,15(5)6)16(7)8/h14-19H,1,12H2,2-11H3/t17-,18-,19-/m0/s1
InChIKeyNNIXAQCIOWMNTF-FHWLQOOXSA-N
MW340.62 g/mol
LogP6.18
Rot. Bonds7

About [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (PubChem CID 139253910) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
PubChem CID139253910
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@@H]1C[C@H](OC)C(C)(C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-13(2)17-12-18(21-11)20(9,10)19(17)22-23(14(3)4,15(5)6)16(7)8/h14-19H,1,12H2,2-11H3/t17-,18-,19-/m0/s1
InChIKeyNNIXAQCIOWMNTF-FHWLQOOXSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.18
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

[(1S,2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 57326161
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
[(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
tert-butyl-dimethyl-[[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020040
tert-butyl-dimethyl-[[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020041
[(1R,2R,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020042
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
tert-butyl-dimethyl-[[(1S,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020514
tert-butyl-dimethyl-[[(1S,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020515
[(1S,3S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253913

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (CID 139253910) is [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is C=C(C)[C@@H]1C[C@H](OC)C(C)(C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The InChIKey is NNIXAQCIOWMNTF-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-13(2)17-12-18(21-11)20(9,10)19(17)22-23(14(3)4,15(5)6)16(7)8/h14-19H,1,12H2,2-11H3/t17-,18-,19-/m0/s1.
What are the key properties of [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane has a molecular weight of 340.62 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139253910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).