[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane

C19H26OSi — CID 25192792

IUPAC[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=C
InChIInChI=1S/C19H26OSi/c1-6-11-21(4,5)20-14-19-13-16-9-7-8-10-17(16)18(19,3)12-15(19)2/h6-10H,1-2,11-14H2,3-5H3/t18-,19+/m1/s1
InChIKeyOTZIIOZIHWBLPH-MOPGFXCFSA-N
MW298.50 g/mol
LogP4.85
Rot. Bonds5

About [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane

[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane (PubChem CID 25192792) has the molecular formula C19H26OSi and a molecular weight of 298.50 g/mol. Its IUPAC name is [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane
PubChem CID25192792
Molecular FormulaC19H26OSi
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=C
InChIInChI=1S/C19H26OSi/c1-6-11-21(4,5)20-14-19-13-16-9-7-8-10-17(16)18(19,3)12-15(19)2/h6-10H,1-2,11-14H2,3-5H3/t18-,19+/m1/s1
InChIKeyOTZIIOZIHWBLPH-MOPGFXCFSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.85
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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Frequently Asked Questions

What is the IUPAC name of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane?
The IUPAC name of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane (CID 25192792) is [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=C.
What is the InChIKey of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane?
The InChIKey is OTZIIOZIHWBLPH-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26OSi/c1-6-11-21(4,5)20-14-19-13-16-9-7-8-10-17(16)18(19,3)12-15(19)2/h6-10H,1-2,11-14H2,3-5H3/t18-,19+/m1/s1.
What are the key properties of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane?
[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 25192792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).