tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane

C16H30OSi — CID 100917077

IUPACtert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)CC1
InChIInChI=1S/C16H30OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h11,13-14H,1,9-10H2,2-8H3/t13-,14+/m0/s1
InChIKeySYKTYIRQRQRWQH-UONOGXRCSA-N
MW266.50 g/mol
LogP5.51
Rot. Bonds3

About tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane

tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane (PubChem CID 100917077) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane
PubChem CID100917077
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)CC1
InChIInChI=1S/C16H30OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h11,13-14H,1,9-10H2,2-8H3/t13-,14+/m0/s1
InChIKeySYKTYIRQRQRWQH-UONOGXRCSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.51
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 tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane (CID 100917077) is tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane is C=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane?
The InChIKey is SYKTYIRQRQRWQH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12(2)14-10-9-13(3)15(11-14)17-18(7,8)16(4,5)6/h11,13-14H,1,9-10H2,2-8H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane?
tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane has a molecular weight of 266.50 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane is sourced from PubChem (CID 100917077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).