[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane

C19H34OSi — CID 164887904

IUPAC[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@H]1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C19H34OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h10,12,14-16,18H,1,11H2,2-9H3/t18-/m1/s1
InChIKeyYSFZFOMLCUSBBO-GOSISDBHSA-N
MW306.57 g/mol
LogP6.60
Rot. Bonds6

About [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane

[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 164887904) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID164887904
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@H]1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C19H34OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h10,12,14-16,18H,1,11H2,2-9H3/t18-/m1/s1
InChIKeyYSFZFOMLCUSBBO-GOSISDBHSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.60
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 [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane (CID 164887904) is [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane is C=C(C)[C@H]1C=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)=CC1.
What is the InChIKey of [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is YSFZFOMLCUSBBO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H34OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h10,12,14-16,18H,1,11H2,2-9H3/t18-/m1/s1.
What are the key properties of [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane?
[(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 164887904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).