[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

C20H38OSi — CID 135020044

IUPAC[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H]1[C@@H](C(=C)C)CC[C@]1(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-11-19-18(14(2)3)12-13-20(19,10)21-22(15(4)5,16(6)7)17(8)9/h11,15-19H,1-2,12-13H2,3-10H3/t18-,19+,20+/m1/s1
InChIKeyNTDGKOKSZDPDSX-AABGKKOBSA-N
MW322.61 g/mol
LogP6.73
Rot. Bonds7

About [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (PubChem CID 135020044) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
PubChem CID135020044
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H]1[C@@H](C(=C)C)CC[C@]1(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-11-19-18(14(2)3)12-13-20(19,10)21-22(15(4)5,16(6)7)17(8)9/h11,15-19H,1-2,12-13H2,3-10H3/t18-,19+,20+/m1/s1
InChIKeyNTDGKOKSZDPDSX-AABGKKOBSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
CID 53310182
[(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 3086398
[(1R,2S,3S)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 70179053
(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
CID 21156163
(1S,1'S,2S,2'S,4R,7S)-7-ethenyl-2,2'-dihydroxy-1-[tri(propan-2-yl)silyloxymethyl]spiro[bicyclo[2.2.1]heptane-3,3'-cyclopentane]-1'-carbonitrile
CID 101481945
3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 175178027
[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane
CID 11058013
2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane
CID 121004169
(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol
CID 102297330
2-[(1R,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]propanedinitrile
CID 102411236
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (CID 135020044) is [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is C=C[C@H]1[C@@H](C(=C)C)CC[C@]1(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
The InChIKey is NTDGKOKSZDPDSX-AABGKKOBSA-N. The full InChI is InChI=1S/C20H38OSi/c1-11-19-18(14(2)3)12-13-20(19,10)21-22(15(4)5,16(6)7)17(8)9/h11,15-19H,1-2,12-13H2,3-10H3/t18-,19+,20+/m1/s1.
What are the key properties of [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135020044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).