[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

C19H32OSi — CID 54065121

IUPAC[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESC#CCC1=C(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=C
InChIInChI=1S/C19H32OSi/c1-10-11-18-16(8)12-19(17(18)9)20-21(13(2)3,14(4)5)15(6)7/h1,13-15,19H,8,11-12H2,2-7,9H3/t19-/m0/s1
InChIKeyMCJTUSZJPKBIFS-IBGZPJMESA-N
MW304.55 g/mol
LogP5.85
Rot. Bonds6

About [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 54065121) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID54065121
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESC#CCC1=C(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=C
InChIInChI=1S/C19H32OSi/c1-10-11-18-16(8)12-19(17(18)9)20-21(13(2)3,14(4)5)15(6)7/h1,13-15,19H,8,11-12H2,2-7,9H3/t19-/m0/s1
InChIKeyMCJTUSZJPKBIFS-IBGZPJMESA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (CID 54065121) is [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is C#CCC1=C(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=C.
What is the InChIKey of [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is MCJTUSZJPKBIFS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32OSi/c1-10-11-18-16(8)12-19(17(18)9)20-21(13(2)3,14(4)5)15(6)7/h1,13-15,19H,8,11-12H2,2-7,9H3/t19-/m0/s1.
What are the key properties of [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 304.55 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 54065121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).