[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane

C22H42OSi — CID 100949310

IUPAC[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1C[C@@H](C(C)C)CC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C22H42OSi/c1-11-12-20-13-21(15(2)3)14-22(19(20)10)23-24(16(4)5,17(6)7)18(8)9/h11,15-18,20-21H,1,12-14H2,2-10H3/t20-,21-/m1/s1
InChIKeyMMZFPKVCZHVIOS-NHCUHLMSSA-N
MW350.66 g/mol
LogP7.71
Rot. Bonds8

About [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane

[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 100949310) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID100949310
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1C[C@@H](C(C)C)CC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C22H42OSi/c1-11-12-20-13-21(15(2)3)14-22(19(20)10)23-24(16(4)5,17(6)7)18(8)9/h11,15-18,20-21H,1,12-14H2,2-10H3/t20-,21-/m1/s1
InChIKeyMMZFPKVCZHVIOS-NHCUHLMSSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.71
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,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane (CID 100949310) is [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane is C=CC[C@@H]1C[C@@H](C(C)C)CC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C.
What is the InChIKey of [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is MMZFPKVCZHVIOS-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-12-20-13-21(15(2)3)14-22(19(20)10)23-24(16(4)5,17(6)7)18(8)9/h11,15-18,20-21H,1,12-14H2,2-10H3/t20-,21-/m1/s1.
What are the key properties of [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 350.66 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 100949310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).